REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2r5h_1_M DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.612 177.584 0.047 0.000 1.274 20 A CA 0.000 52.049 52.037 0.020 0.000 0.836 20 A CB 0.000 19.021 19.000 0.035 0.000 0.831 21 V N 1.390 121.259 119.914 -0.075 0.000 3.134 21 V HA 0.863 4.983 4.120 -0.000 0.000 0.313 21 V C 0.420 176.529 176.094 0.024 0.000 1.069 21 V CA -0.013 62.221 62.300 -0.111 0.000 1.048 21 V CB 1.533 32.989 31.823 -0.612 0.000 1.119 21 V HN 1.935 nan 8.190 nan 0.000 0.461 22 V N -1.478 118.595 119.914 0.264 0.000 3.036 22 V HA 0.526 4.646 4.120 -0.000 0.000 0.280 22 V C -0.396 176.039 176.094 0.568 0.000 1.497 22 V CA -0.515 62.047 62.300 0.437 0.000 0.982 22 V CB 1.104 33.047 31.823 0.200 0.000 1.171 22 V HN 0.998 nan 8.190 nan 0.000 0.444 23 S N 2.065 118.025 115.700 0.433 0.000 2.558 23 S HA 0.200 4.670 4.470 -0.000 0.000 0.288 23 S C 1.598 176.266 174.600 0.113 0.000 1.318 23 S CA 0.631 58.977 58.200 0.245 0.000 1.056 23 S CB 1.046 64.276 63.200 0.050 0.000 0.853 23 S HN 2.044 nan 8.310 nan 0.000 0.505 24 T N 1.565 116.124 114.554 0.008 0.000 2.881 24 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 24 T C 1.174 175.652 174.700 -0.370 0.000 1.068 24 T CA 1.288 63.144 62.100 -0.407 0.000 1.131 24 T CB -0.517 68.269 68.868 -0.138 0.000 0.871 24 T HN 0.672 nan 8.240 nan 0.000 0.479 25 D N 1.524 121.835 120.400 -0.148 0.000 2.271 25 D HA -0.102 4.538 4.640 -0.000 0.000 0.207 25 D C 2.104 178.358 176.300 -0.077 0.000 0.983 25 D CA 1.010 54.954 54.000 -0.094 0.000 0.878 25 D CB -0.075 40.700 40.800 -0.042 0.000 0.920 25 D HN 0.660 nan 8.370 nan 0.000 0.479 26 E N -0.640 119.515 120.200 -0.074 0.000 2.021 26 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 26 E C 2.055 178.697 176.600 0.069 0.000 0.980 26 E CA 0.711 57.122 56.400 0.019 0.000 0.803 26 E CB -0.144 29.611 29.700 0.092 0.000 0.766 26 E HN 0.514 nan 8.360 nan 0.000 0.449 27 Y N -0.414 119.940 120.300 0.089 0.000 2.510 27 Y HA 0.263 4.813 4.550 -0.000 0.000 0.273 27 Y C 0.611 176.611 175.900 0.167 0.000 1.119 27 Y CA -0.336 57.833 58.100 0.115 0.000 1.286 27 Y CB -0.050 38.480 38.460 0.117 0.000 1.061 27 Y HN -0.309 nan 8.280 nan 0.000 0.542 28 V N 1.779 121.644 119.914 -0.081 0.000 2.539 28 V HA 0.743 4.863 4.120 -0.000 0.000 0.292 28 V C 0.142 176.237 176.094 0.002 0.000 1.045 28 V CA -0.998 61.324 62.300 0.036 0.000 0.945 28 V CB 1.048 32.847 31.823 -0.040 0.000 0.993 28 V HN 0.360 nan 8.190 nan 0.000 0.464 29 A N 4.512 127.346 122.820 0.022 0.000 2.288 29 A HA 0.731 5.051 4.320 -0.000 0.000 0.320 29 A C -0.037 177.517 177.584 -0.050 0.000 1.217 29 A CA -0.736 51.298 52.037 -0.005 0.000 0.840 29 A CB 0.526 19.536 19.000 0.017 0.000 1.179 29 A HN 0.858 nan 8.150 nan 0.000 0.504 30 R N 1.566 122.030 120.500 -0.060 0.000 2.229 30 R HA 0.473 4.813 4.340 -0.000 0.000 0.328 30 R C 0.446 176.675 176.300 -0.119 0.000 1.009 30 R CA -0.112 55.930 56.100 -0.095 0.000 0.864 30 R CB 1.407 31.668 30.300 -0.066 0.000 1.085 30 R HN 0.843 nan 8.270 nan 0.000 0.453 31 T N -1.365 113.068 114.554 -0.202 0.000 2.923 31 T HA 0.204 4.554 4.350 -0.000 0.000 0.281 31 T C 0.401 174.913 174.700 -0.313 0.000 0.995 31 T CA -0.848 61.103 62.100 -0.247 0.000 0.985 31 T CB 1.163 69.799 68.868 -0.387 0.000 1.114 31 T HN 0.537 nan 8.240 nan 0.000 0.548 32 N N 0.903 119.429 118.700 -0.290 0.000 2.761 32 N HA 0.261 5.001 4.740 -0.000 0.000 0.317 32 N C -0.988 174.319 175.510 -0.338 0.000 1.546 32 N CA -0.276 52.609 53.050 -0.274 0.000 1.015 32 N CB 0.121 38.560 38.487 -0.080 0.000 1.343 32 N HN 0.461 nan 8.380 nan 0.000 0.504 33 I N 1.690 121.941 120.570 -0.532 0.000 2.389 33 I HA 0.306 4.476 4.170 -0.000 0.000 0.288 33 I C -0.819 175.098 176.117 -0.332 0.000 0.999 33 I CA -0.514 60.580 61.300 -0.343 0.000 1.129 33 I CB 0.949 38.736 38.000 -0.355 0.000 1.288 33 I HN 0.087 nan 8.210 nan 0.000 0.444 34 Y N 5.772 126.114 120.300 0.070 0.000 2.346 34 Y HA 0.477 5.027 4.550 -0.000 0.000 0.332 34 Y C -0.812 175.125 175.900 0.062 0.000 0.985 34 Y CA -0.696 57.490 58.100 0.145 0.000 1.112 34 Y CB 2.165 40.730 38.460 0.175 0.000 1.170 34 Y HN 0.375 nan 8.280 nan 0.000 0.447 35 Y N 2.077 122.654 120.300 0.462 0.000 2.446 35 Y HA 0.347 4.897 4.550 -0.000 0.000 0.345 35 Y C -0.268 175.705 175.900 0.123 0.000 0.984 35 Y CA -0.890 57.414 58.100 0.339 0.000 1.058 35 Y CB 1.532 40.245 38.460 0.421 0.000 1.220 35 Y HN 0.548 nan 8.280 nan 0.000 0.455 36 H N 2.184 121.311 119.070 0.095 0.000 2.472 36 H HA 0.860 5.416 4.556 -0.000 0.000 0.338 36 H C -1.637 173.490 175.328 -0.336 0.000 1.133 36 H CA -0.621 55.342 56.048 -0.141 0.000 1.216 36 H CB 1.639 31.346 29.762 -0.091 0.000 1.497 36 H HN 0.816 nan 8.280 nan 0.000 0.500 37 A N 2.809 125.086 122.820 -0.906 0.000 2.530 37 A HA 0.582 4.902 4.320 -0.000 0.000 0.297 37 A C -1.059 176.294 177.584 -0.385 0.000 1.059 37 A CA 0.050 51.799 52.037 -0.480 0.000 0.782 37 A CB 1.109 19.689 19.000 -0.701 0.000 1.301 37 A HN 1.005 nan 8.150 nan 0.000 0.394 38 G N 0.693 109.396 108.800 -0.161 0.000 2.596 38 G HA2 0.669 4.629 3.960 -0.000 0.000 0.296 38 G HA3 0.669 4.629 3.960 -0.000 0.000 0.296 38 G C -0.418 174.495 174.900 0.022 0.000 1.513 38 G CA 0.270 45.354 45.100 -0.027 0.000 0.851 38 G HN 1.683 nan 8.290 nan 0.000 0.548 39 T N -0.800 113.777 114.554 0.037 0.000 2.930 39 T HA 0.369 4.719 4.350 -0.000 0.000 0.306 39 T C 1.883 176.615 174.700 0.054 0.000 1.045 39 T CA 0.664 62.795 62.100 0.051 0.000 1.134 39 T CB 1.419 70.310 68.868 0.039 0.000 0.961 39 T HN 1.513 nan 8.240 nan 0.000 0.545 40 S N 2.203 117.949 115.700 0.076 0.000 2.368 40 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 40 S C 0.935 175.577 174.600 0.070 0.000 1.029 40 S CA 0.343 58.590 58.200 0.078 0.000 0.988 40 S CB -0.341 62.912 63.200 0.089 0.000 0.838 40 S HN 0.982 nan 8.310 nan 0.000 0.462 41 R N -0.134 120.417 120.500 0.084 0.000 3.321 41 R HA 0.284 4.624 4.340 -0.000 0.000 0.285 41 R C -1.962 174.420 176.300 0.137 0.000 1.149 41 R CA -0.326 55.828 56.100 0.089 0.000 1.191 41 R CB 0.293 30.640 30.300 0.078 0.000 1.276 41 R HN 0.364 nan 8.270 nan 0.000 0.429 42 L N 3.648 124.967 121.223 0.160 0.000 2.421 42 L HA 0.594 4.934 4.340 -0.000 0.000 0.263 42 L C -0.586 176.479 176.870 0.325 0.000 1.122 42 L CA -0.934 54.069 54.840 0.271 0.000 0.804 42 L CB 1.141 43.273 42.059 0.121 0.000 1.150 42 L HN 0.472 nan 8.230 nan 0.000 0.457 43 L N 1.456 122.938 121.223 0.431 0.000 2.549 43 L HA 0.700 5.040 4.340 -0.000 0.000 0.259 43 L C -0.992 176.056 176.870 0.296 0.000 0.934 43 L CA -0.122 54.895 54.840 0.294 0.000 0.865 43 L CB 1.936 44.096 42.059 0.168 0.000 1.352 43 L HN 0.647 nan 8.230 nan 0.000 0.410 44 A N 3.055 126.001 122.820 0.211 0.000 2.414 44 A HA 0.972 5.292 4.320 -0.000 0.000 0.306 44 A C -1.713 175.876 177.584 0.009 0.000 1.054 44 A CA -0.582 51.504 52.037 0.082 0.000 0.724 44 A CB 2.035 21.097 19.000 0.104 0.000 1.267 44 A HN 0.483 nan 8.150 nan 0.000 0.418 45 V N 0.974 120.879 119.914 -0.015 0.000 2.891 45 V HA 0.835 4.955 4.120 -0.000 0.000 0.304 45 V C 0.442 176.535 176.094 -0.003 0.000 1.171 45 V CA 0.417 62.709 62.300 -0.012 0.000 0.943 45 V CB 1.745 33.569 31.823 0.003 0.000 1.037 45 V HN 1.940 nan 8.190 nan 0.000 0.427 46 G N 2.322 111.133 108.800 0.017 0.000 2.485 46 G HA2 0.338 4.298 3.960 -0.000 0.000 0.182 46 G HA3 0.338 4.298 3.960 -0.000 0.000 0.182 46 G C -1.593 173.353 174.900 0.077 0.000 1.172 46 G CA -0.426 44.703 45.100 0.048 0.000 0.996 46 G HN 0.736 nan 8.290 nan 0.000 0.496 47 H N 1.871 120.931 119.070 -0.018 0.000 2.489 47 H HA 0.443 4.999 4.556 -0.000 0.000 0.343 47 H C -1.738 173.535 175.328 -0.090 0.000 1.086 47 H CA -1.694 54.314 56.048 -0.066 0.000 1.198 47 H CB 3.054 32.709 29.762 -0.178 0.000 1.490 47 H HN 0.175 nan 8.280 nan 0.000 0.504 48 P HA -0.066 nan 4.420 nan 0.000 0.239 48 P C -0.159 176.838 177.300 -0.505 0.000 1.184 48 P CA 1.081 63.917 63.100 -0.440 0.000 0.760 48 P CB 0.097 31.434 31.700 -0.605 0.000 0.884 49 Y N -0.958 119.420 120.300 0.129 0.000 2.912 49 Y HA 0.280 4.830 4.550 -0.000 0.000 0.250 49 Y C 1.010 177.067 175.900 0.261 0.000 1.073 49 Y CA -0.336 57.885 58.100 0.202 0.000 1.275 49 Y CB 0.246 38.866 38.460 0.267 0.000 1.470 49 Y HN -0.201 nan 8.280 nan 0.000 0.447 50 F N -1.005 119.192 119.950 0.412 0.000 2.668 50 F HA 0.728 5.255 4.527 -0.000 0.000 0.309 50 F C -3.361 172.481 175.800 0.069 0.000 1.117 50 F CA -3.205 54.891 58.000 0.160 0.000 0.951 50 F CB 0.963 40.002 39.000 0.064 0.000 1.323 50 F HN -0.326 nan 8.300 nan 0.000 0.451 51 P HA 0.171 nan 4.420 nan 0.000 0.271 51 P C -0.614 176.790 177.300 0.173 0.000 1.226 51 P CA 0.190 63.385 63.100 0.158 0.000 0.765 51 P CB 1.272 33.044 31.700 0.121 0.000 0.835 52 I N 4.936 125.562 120.570 0.093 0.000 2.278 52 I HA 0.151 4.321 4.170 -0.000 0.000 0.296 52 I C 1.332 177.489 176.117 0.067 0.000 1.121 52 I CA 0.177 61.533 61.300 0.094 0.000 1.267 52 I CB -0.327 37.715 38.000 0.070 0.000 1.447 52 I HN 0.368 nan 8.210 nan 0.000 0.509 53 K N 4.490 124.926 120.400 0.060 0.000 2.303 53 K HA 0.662 4.982 4.320 -0.000 0.000 0.233 53 K C -0.239 176.376 176.600 0.026 0.000 1.046 53 K CA -1.267 55.041 56.287 0.034 0.000 0.895 53 K CB 1.031 33.546 32.500 0.025 0.000 1.220 53 K HN 0.082 nan 8.250 nan 0.000 0.470 54 K N 1.078 121.488 120.400 0.016 0.000 2.382 54 K HA 0.087 4.407 4.320 -0.000 0.000 0.275 54 K C -1.769 174.834 176.600 0.005 0.000 1.009 54 K CA -1.407 54.887 56.287 0.012 0.000 0.970 54 K CB 0.616 33.120 32.500 0.007 0.000 0.934 54 K HN 0.328 nan 8.250 nan 0.000 0.479 55 P HA -0.217 nan 4.420 nan 0.000 0.216 55 P C -0.264 177.030 177.300 -0.009 0.000 1.153 55 P CA 1.871 64.969 63.100 -0.004 0.000 0.858 55 P CB -0.057 31.641 31.700 -0.002 0.000 0.789 56 N N -0.206 118.490 118.700 -0.006 0.000 2.335 56 N HA -0.088 4.652 4.740 -0.000 0.000 0.197 56 N C 0.974 176.480 175.510 -0.007 0.000 1.045 56 N CA -0.030 53.015 53.050 -0.008 0.000 0.928 56 N CB -1.657 36.826 38.487 -0.007 0.000 1.118 56 N HN 0.051 nan 8.380 nan 0.000 0.471 57 N N 0.863 119.560 118.700 -0.005 0.000 2.174 57 N HA -0.121 4.619 4.740 -0.000 0.000 0.215 57 N C -0.369 175.138 175.510 -0.005 0.000 1.322 57 N CA 0.600 53.647 53.050 -0.005 0.000 0.880 57 N CB 0.147 38.632 38.487 -0.003 0.000 1.090 57 N HN 0.538 nan 8.380 nan 0.000 0.436 58 N N -0.373 118.324 118.700 -0.005 0.000 2.451 58 N HA 0.066 4.806 4.740 -0.000 0.000 0.271 58 N C -1.035 174.473 175.510 -0.004 0.000 1.410 58 N CA -0.355 52.693 53.050 -0.004 0.000 0.884 58 N CB 0.366 38.848 38.487 -0.008 0.000 1.332 58 N HN 0.424 nan 8.380 nan 0.000 0.498 59 K N 2.100 122.499 120.400 -0.002 0.000 2.185 59 K HA 0.291 4.611 4.320 -0.000 0.000 0.269 59 K C 0.090 176.691 176.600 0.003 0.000 0.987 59 K CA -0.627 55.658 56.287 -0.003 0.000 0.865 59 K CB 1.382 33.879 32.500 -0.005 0.000 1.090 59 K HN 0.315 nan 8.250 nan 0.000 0.450 60 I N 3.919 124.490 120.570 0.002 0.000 2.278 60 I HA 0.063 4.233 4.170 -0.000 0.000 0.296 60 I C 0.934 177.054 176.117 0.005 0.000 1.121 60 I CA -0.492 60.814 61.300 0.009 0.000 1.267 60 I CB 0.448 38.453 38.000 0.008 0.000 1.447 60 I HN 0.568 nan 8.210 nan 0.000 0.509 61 L N 7.145 128.376 121.223 0.012 0.000 2.275 61 L HA 0.182 4.522 4.340 -0.000 0.000 0.215 61 L C 0.267 177.143 176.870 0.011 0.000 1.119 61 L CA 1.411 56.257 54.840 0.010 0.000 0.790 61 L CB 0.083 42.152 42.059 0.016 0.000 0.919 61 L HN 0.557 nan 8.230 nan 0.000 0.443 62 V N 0.661 120.588 119.914 0.021 0.000 2.851 62 V HA 0.483 4.603 4.120 -0.000 0.000 0.307 62 V C -2.569 173.542 176.094 0.029 0.000 1.129 62 V CA -0.966 61.349 62.300 0.024 0.000 0.932 62 V CB 2.247 34.094 31.823 0.042 0.000 1.024 62 V HN 0.037 nan 8.190 nan 0.000 0.426 63 P HA 0.380 nan 4.420 nan 0.000 0.287 63 P C -1.206 176.120 177.300 0.043 0.000 1.290 63 P CA -0.975 62.137 63.100 0.021 0.000 0.889 63 P CB 1.712 33.402 31.700 -0.016 0.000 1.190 64 K N 0.928 121.362 120.400 0.056 0.000 2.430 64 K HA 0.211 4.531 4.320 -0.000 0.000 0.280 64 K C -0.860 175.768 176.600 0.047 0.000 1.063 64 K CA 0.268 56.598 56.287 0.072 0.000 1.071 64 K CB -0.280 32.273 32.500 0.088 0.000 0.899 64 K HN 0.227 nan 8.250 nan 0.000 0.473 65 V N 4.015 123.960 119.914 0.051 0.000 2.443 65 V HA 0.093 4.213 4.120 -0.000 0.000 0.272 65 V C -0.323 175.816 176.094 0.075 0.000 1.002 65 V CA -0.648 61.670 62.300 0.031 0.000 0.840 65 V CB 1.146 32.962 31.823 -0.013 0.000 1.042 65 V HN 0.834 nan 8.190 nan 0.000 0.446 66 S N 2.906 118.684 115.700 0.130 0.000 2.677 66 S HA 0.745 5.215 4.470 -0.000 0.000 0.304 66 S C 0.664 175.398 174.600 0.223 0.000 1.108 66 S CA 0.008 58.387 58.200 0.299 0.000 0.944 66 S CB 2.151 65.425 63.200 0.122 0.000 1.127 66 S HN 0.879 nan 8.310 nan 0.000 0.511 67 G N 0.489 109.492 108.800 0.339 0.000 3.581 67 G HA2 0.501 4.461 3.960 -0.000 0.000 0.255 67 G HA3 0.501 4.461 3.960 -0.000 0.000 0.255 67 G C -0.036 174.940 174.900 0.127 0.000 1.121 67 G CA -0.256 44.970 45.100 0.211 0.000 1.739 67 G HN 0.694 nan 8.290 nan 0.000 0.646 68 L N -0.934 120.351 121.223 0.103 0.000 3.759 68 L HA 0.222 4.562 4.340 -0.000 0.000 0.355 68 L C 0.076 176.982 176.870 0.060 0.000 1.271 68 L CA -0.052 54.832 54.840 0.073 0.000 1.142 68 L CB 0.510 42.632 42.059 0.105 0.000 1.474 68 L HN 0.219 nan 8.230 nan 0.000 0.624 69 Q N -0.052 119.790 119.800 0.071 0.000 2.333 69 Q HA 0.422 4.762 4.340 -0.000 0.000 0.267 69 Q C -1.381 174.679 176.000 0.101 0.000 1.012 69 Q CA -0.908 54.959 55.803 0.107 0.000 0.824 69 Q CB 2.158 30.961 28.738 0.109 0.000 1.290 69 Q HN -0.029 nan 8.270 nan 0.000 0.449 70 Y N 1.395 121.735 120.300 0.067 0.000 2.544 70 Y HA 0.013 4.563 4.550 -0.000 0.000 0.330 70 Y C 0.717 176.663 175.900 0.076 0.000 1.136 70 Y CA 0.100 58.245 58.100 0.075 0.000 1.417 70 Y CB 0.491 38.972 38.460 0.036 0.000 1.229 70 Y HN 0.243 nan 8.280 nan 0.000 0.532 71 R N 3.573 124.190 120.500 0.195 0.000 2.608 71 R HA 0.174 4.514 4.340 -0.000 0.000 0.277 71 R C -1.089 175.245 176.300 0.056 0.000 1.341 71 R CA -0.366 55.783 56.100 0.082 0.000 1.199 71 R CB -0.091 30.259 30.300 0.083 0.000 1.156 71 R HN 0.408 nan 8.270 nan 0.000 0.558 72 V N 5.801 125.754 119.914 0.064 0.000 2.302 72 V HA 0.090 4.210 4.120 -0.000 0.000 0.244 72 V C 0.405 176.539 176.094 0.067 0.000 1.160 72 V CA -0.051 62.310 62.300 0.103 0.000 1.127 72 V CB -0.960 30.957 31.823 0.157 0.000 1.253 72 V HN 0.306 nan 8.190 nan 0.000 0.496 73 F N 3.515 123.499 119.950 0.056 0.000 2.399 73 F HA 0.476 5.003 4.527 -0.000 0.000 0.342 73 F C 0.846 176.739 175.800 0.155 0.000 1.106 73 F CA -0.381 57.646 58.000 0.045 0.000 1.196 73 F CB 0.712 39.637 39.000 -0.123 0.000 1.163 73 F HN 0.347 nan 8.300 nan 0.000 0.547 74 R N 4.038 124.729 120.500 0.319 0.000 2.371 74 R HA 0.565 4.905 4.340 -0.000 0.000 0.312 74 R C -1.683 174.490 176.300 -0.213 0.000 0.980 74 R CA -0.682 55.533 56.100 0.192 0.000 0.867 74 R CB 0.450 30.988 30.300 0.397 0.000 1.163 74 R HN 0.588 nan 8.270 nan 0.000 0.492 75 I N 4.387 124.779 120.570 -0.296 0.000 2.342 75 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 75 I C -0.010 175.785 176.117 -0.536 0.000 1.010 75 I CA -0.326 60.757 61.300 -0.363 0.000 1.308 75 I CB 1.054 38.820 38.000 -0.390 0.000 1.400 75 I HN 0.499 nan 8.210 nan 0.000 0.488 76 H N 7.269 126.251 119.070 -0.145 0.000 2.504 76 H HA 0.523 5.079 4.556 -0.000 0.000 0.322 76 H C -0.685 174.497 175.328 -0.244 0.000 1.055 76 H CA -0.520 55.430 56.048 -0.164 0.000 1.231 76 H CB 1.192 30.901 29.762 -0.088 0.000 1.417 76 H HN 0.363 nan 8.280 nan 0.000 0.472 77 L N 5.512 126.611 121.223 -0.207 0.000 2.317 77 L HA 0.354 4.694 4.340 -0.000 0.000 0.281 77 L C -2.066 174.511 176.870 -0.489 0.000 1.024 77 L CA -2.196 52.359 54.840 -0.475 0.000 0.810 77 L CB 1.729 43.389 42.059 -0.666 0.000 1.240 77 L HN 0.367 nan 8.230 nan 0.000 0.427 78 P HA -0.067 nan 4.420 nan 0.000 0.263 78 P C -0.730 176.421 177.300 -0.248 0.000 1.195 78 P CA -0.104 62.676 63.100 -0.534 0.000 0.762 78 P CB 0.440 31.636 31.700 -0.841 0.000 0.799 79 D N 5.862 126.241 120.400 -0.035 0.000 2.479 79 D HA -0.064 4.576 4.640 -0.000 0.000 0.257 79 D C -0.779 175.653 176.300 0.220 0.000 1.230 79 D CA -1.137 52.936 54.000 0.121 0.000 0.912 79 D CB 0.421 41.293 40.800 0.119 0.000 1.130 79 D HN 0.265 nan 8.370 nan 0.000 0.515 80 P HA -0.158 nan 4.420 nan 0.000 0.220 80 P C 0.442 177.950 177.300 0.346 0.000 1.148 80 P CA 0.619 63.945 63.100 0.376 0.000 0.803 80 P CB 0.287 31.951 31.700 -0.059 0.000 0.782 81 N N 0.284 119.123 118.700 0.231 0.000 2.609 81 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 81 N C 1.024 176.661 175.510 0.211 0.000 1.157 81 N CA 0.893 54.063 53.050 0.200 0.000 0.918 81 N CB -0.033 38.599 38.487 0.241 0.000 0.978 81 N HN 0.415 nan 8.380 nan 0.000 0.448 82 K N -1.788 118.745 120.400 0.222 0.000 2.552 82 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 82 K C 0.011 176.689 176.600 0.129 0.000 1.785 82 K CA -0.438 55.943 56.287 0.158 0.000 1.076 82 K CB 0.408 32.972 32.500 0.108 0.000 1.559 82 K HN -0.058 nan 8.250 nan 0.000 0.591 83 F N 2.345 122.271 119.950 -0.041 0.000 2.628 83 F HA 0.171 4.698 4.527 -0.000 0.000 0.346 83 F C 0.974 176.585 175.800 -0.316 0.000 1.188 83 F CA 0.436 58.276 58.000 -0.267 0.000 1.376 83 F CB 0.549 39.241 39.000 -0.514 0.000 1.104 83 F HN 0.037 nan 8.300 nan 0.000 0.616 84 G N 5.146 113.055 108.800 -1.486 0.000 2.977 84 G HA2 0.301 4.261 3.960 -0.000 0.000 0.306 84 G HA3 0.301 4.261 3.960 -0.000 0.000 0.306 84 G C -1.065 173.213 174.900 -1.037 0.000 0.885 84 G CA -0.490 44.010 45.100 -1.000 0.000 1.649 84 G HN 0.447 nan 8.290 nan 0.000 0.514 85 F N 2.589 122.380 119.950 -0.266 0.000 2.472 85 F HA 0.221 4.748 4.527 -0.000 0.000 0.364 85 F C -0.255 175.581 175.800 0.060 0.000 1.090 85 F CA -1.945 56.090 58.000 0.058 0.000 1.188 85 F CB 1.609 40.805 39.000 0.327 0.000 1.105 85 F HN 0.333 nan 8.300 nan 0.000 0.536 86 P HA -0.157 nan 4.420 nan 0.000 0.227 86 P C -0.481 176.931 177.300 0.186 0.000 1.145 86 P CA 1.151 64.356 63.100 0.175 0.000 0.769 86 P CB 0.117 31.921 31.700 0.173 0.000 0.769 87 D N -1.785 118.767 120.400 0.254 0.000 2.717 87 D HA 0.270 4.910 4.640 -0.000 0.000 0.223 87 D C -0.293 176.063 176.300 0.094 0.000 1.240 87 D CA -0.442 53.664 54.000 0.177 0.000 0.801 87 D CB 0.937 41.881 40.800 0.240 0.000 1.556 87 D HN -0.162 nan 8.370 nan 0.000 0.462 88 T N -0.881 113.575 114.554 -0.164 0.000 3.475 88 T HA 0.199 4.549 4.350 -0.000 0.000 0.310 88 T C 1.013 175.396 174.700 -0.529 0.000 0.963 88 T CA 0.430 62.279 62.100 -0.418 0.000 0.985 88 T CB -0.449 68.361 68.868 -0.097 0.000 1.198 88 T HN 0.249 nan 8.240 nan 0.000 0.508 89 S N 1.710 117.152 115.700 -0.431 0.000 2.404 89 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 89 S C 1.798 176.250 174.600 -0.247 0.000 1.040 89 S CA 0.547 58.588 58.200 -0.264 0.000 0.957 89 S CB -1.177 61.966 63.200 -0.095 0.000 0.826 89 S HN 0.595 nan 8.310 nan 0.000 0.491 90 F N 2.672 122.641 119.950 0.031 0.000 2.304 90 F HA 0.040 4.567 4.527 -0.000 0.000 0.301 90 F C 0.721 176.574 175.800 0.088 0.000 1.052 90 F CA -0.224 57.789 58.000 0.022 0.000 1.389 90 F CB -1.587 37.394 39.000 -0.031 0.000 1.081 90 F HN 0.534 nan 8.300 nan 0.000 0.538 91 Y N -0.306 119.813 120.300 -0.301 0.000 2.677 91 Y HA 0.589 5.139 4.550 -0.000 0.000 0.334 91 Y C -1.329 174.461 175.900 -0.184 0.000 1.154 91 Y CA -2.071 55.965 58.100 -0.108 0.000 1.070 91 Y CB 0.987 39.462 38.460 0.025 0.000 1.294 91 Y HN -0.086 nan 8.280 nan 0.000 0.475 92 N N 2.571 120.938 118.700 -0.555 0.000 2.524 92 N HA 0.450 5.190 4.740 -0.000 0.000 0.261 92 N C -2.557 172.535 175.510 -0.697 0.000 0.998 92 N CA -2.688 49.989 53.050 -0.621 0.000 0.915 92 N CB 1.923 40.246 38.487 -0.274 0.000 1.187 92 N HN 0.385 nan 8.380 nan 0.000 0.507 93 P HA 0.026 nan 4.420 nan 0.000 0.244 93 P C -0.435 176.746 177.300 -0.198 0.000 1.211 93 P CA 0.707 63.539 63.100 -0.447 0.000 0.760 93 P CB 0.459 31.965 31.700 -0.323 0.000 0.961 94 D N -1.001 119.280 120.400 -0.199 0.000 2.566 94 D HA -0.041 4.599 4.640 -0.000 0.000 0.253 94 D C 1.931 178.175 176.300 -0.093 0.000 0.992 94 D CA 1.676 55.606 54.000 -0.117 0.000 0.940 94 D CB -0.662 40.073 40.800 -0.108 0.000 1.095 94 D HN 0.206 nan 8.370 nan 0.000 0.480 95 T N -1.478 113.017 114.554 -0.099 0.000 3.042 95 T HA 0.054 4.404 4.350 -0.000 0.000 0.245 95 T C 0.977 175.636 174.700 -0.069 0.000 1.029 95 T CA -0.137 61.921 62.100 -0.070 0.000 1.120 95 T CB 0.090 68.926 68.868 -0.052 0.000 0.917 95 T HN 0.176 nan 8.240 nan 0.000 0.467 96 Q N 0.677 120.443 119.800 -0.056 0.000 2.309 96 Q HA 0.616 4.956 4.340 -0.000 0.000 0.264 96 Q C -1.098 174.920 176.000 0.030 0.000 1.008 96 Q CA -1.180 54.617 55.803 -0.010 0.000 0.853 96 Q CB 1.995 30.770 28.738 0.061 0.000 1.314 96 Q HN 0.028 nan 8.270 nan 0.000 0.448 97 R N 2.280 122.684 120.500 -0.159 0.000 2.637 97 R HA 0.508 4.848 4.340 -0.000 0.000 0.291 97 R C -0.402 175.785 176.300 -0.189 0.000 0.963 97 R CA -0.860 55.064 56.100 -0.293 0.000 0.901 97 R CB 1.605 31.284 30.300 -1.034 0.000 1.160 97 R HN 0.687 nan 8.270 nan 0.000 0.457 98 L N 2.327 123.455 121.223 -0.158 0.000 2.397 98 L HA 0.421 4.761 4.340 -0.000 0.000 0.271 98 L C -0.034 176.897 176.870 0.101 0.000 1.148 98 L CA -0.495 54.255 54.840 -0.149 0.000 0.825 98 L CB 1.061 42.915 42.059 -0.341 0.000 1.117 98 L HN 0.184 nan 8.230 nan 0.000 0.456 99 V N 1.108 121.022 119.914 -0.000 0.000 2.841 99 V HA 0.329 4.449 4.120 -0.000 0.000 0.310 99 V C -0.779 175.203 176.094 -0.188 0.000 1.090 99 V CA -0.783 61.556 62.300 0.065 0.000 0.930 99 V CB 2.160 34.074 31.823 0.151 0.000 1.014 99 V HN 0.627 nan 8.190 nan 0.000 0.425 100 W N 2.285 123.566 121.300 -0.030 0.000 2.184 100 W HA 0.642 5.302 4.660 -0.000 0.000 0.338 100 W C 0.384 176.875 176.519 -0.047 0.000 1.257 100 W CA 0.297 57.613 57.345 -0.048 0.000 1.243 100 W CB 1.087 30.463 29.460 -0.140 0.000 1.122 100 W HN 0.710 nan 8.180 nan 0.000 0.585 101 A N 2.083 125.103 122.820 0.333 0.000 2.454 101 A HA 0.662 4.982 4.320 -0.000 0.000 0.302 101 A C -1.583 176.195 177.584 0.323 0.000 1.079 101 A CA -0.693 51.475 52.037 0.219 0.000 0.731 101 A CB 1.264 20.301 19.000 0.062 0.000 1.299 101 A HN 0.710 nan 8.150 nan 0.000 0.413 102 C N 1.857 121.233 119.300 0.127 0.000 2.382 102 C HA 0.692 5.152 4.460 -0.000 0.000 0.327 102 C C 1.260 176.180 174.990 -0.117 0.000 1.250 102 C CA 0.305 59.342 59.018 0.031 0.000 1.707 102 C CB 0.539 28.309 27.740 0.050 0.000 2.272 102 C HN 1.407 nan 8.230 nan 0.000 0.506 103 V N 3.056 122.859 119.914 -0.184 0.000 3.562 103 V HA 0.551 4.671 4.120 -0.000 0.000 0.270 103 V C 0.577 176.615 176.094 -0.094 0.000 1.418 103 V CA 0.812 63.015 62.300 -0.161 0.000 1.033 103 V CB -0.022 31.676 31.823 -0.208 0.000 0.820 103 V HN 1.082 nan 8.190 nan 0.000 0.441 104 G N 0.447 109.102 108.800 -0.241 0.000 2.744 104 G HA2 0.621 4.581 3.960 -0.000 0.000 0.286 104 G HA3 0.621 4.581 3.960 -0.000 0.000 0.286 104 G C -1.562 173.054 174.900 -0.473 0.000 1.497 104 G CA -0.318 44.662 45.100 -0.200 0.000 1.070 104 G HN 0.287 nan 8.290 nan 0.000 0.539 105 V N 1.599 121.188 119.914 -0.543 0.000 2.735 105 V HA 0.634 4.754 4.120 -0.000 0.000 0.310 105 V C -0.500 175.146 176.094 -0.747 0.000 1.061 105 V CA -0.823 61.073 62.300 -0.672 0.000 0.913 105 V CB 2.210 33.767 31.823 -0.444 0.000 1.005 105 V HN 0.790 nan 8.190 nan 0.000 0.428 106 E N 2.863 122.591 120.200 -0.786 0.000 2.316 106 E HA 0.415 4.765 4.350 -0.000 0.000 0.254 106 E C -1.630 174.654 176.600 -0.527 0.000 0.902 106 E CA -0.424 55.509 56.400 -0.777 0.000 0.801 106 E CB 2.028 31.341 29.700 -0.644 0.000 1.270 106 E HN 0.493 nan 8.360 nan 0.000 0.414 107 V N 4.245 123.972 119.914 -0.312 0.000 2.352 107 V HA 0.242 4.362 4.120 -0.000 0.000 0.253 107 V C 0.961 177.020 176.094 -0.059 0.000 1.083 107 V CA -0.140 62.100 62.300 -0.101 0.000 0.993 107 V CB 0.538 32.475 31.823 0.191 0.000 1.111 107 V HN 0.682 nan 8.190 nan 0.000 0.490 108 G N 5.657 114.374 108.800 -0.138 0.000 2.432 108 G HA2 0.370 4.330 3.960 -0.000 0.000 0.239 108 G HA3 0.370 4.330 3.960 -0.000 0.000 0.239 108 G C -0.067 174.762 174.900 -0.117 0.000 1.291 108 G CA -0.389 44.651 45.100 -0.100 0.000 0.863 108 G HN 0.553 nan 8.290 nan 0.000 0.560 109 R N 0.864 121.294 120.500 -0.116 0.000 2.621 109 R HA 0.460 4.800 4.340 -0.000 0.000 0.284 109 R C -0.039 176.180 176.300 -0.134 0.000 0.998 109 R CA -0.684 55.286 56.100 -0.216 0.000 0.895 109 R CB 2.430 32.554 30.300 -0.293 0.000 1.195 109 R HN 0.622 nan 8.270 nan 0.000 0.450 110 G N 1.880 110.588 108.800 -0.153 0.000 4.757 110 G HA2 0.192 4.152 3.960 -0.000 0.000 0.303 110 G HA3 0.192 4.152 3.960 -0.000 0.000 0.303 110 G C -0.311 174.549 174.900 -0.067 0.000 1.318 110 G CA -0.103 44.947 45.100 -0.084 0.000 1.020 110 G HN 0.178 nan 8.290 nan 0.000 0.589 111 Q N 0.973 120.731 119.800 -0.070 0.000 2.345 111 Q HA 0.338 4.678 4.340 -0.000 0.000 0.275 111 Q C -2.777 173.211 176.000 -0.020 0.000 1.063 111 Q CA -1.701 54.080 55.803 -0.037 0.000 0.819 111 Q CB 3.246 31.955 28.738 -0.049 0.000 1.356 111 Q HN 0.188 nan 8.270 nan 0.000 0.418 112 P HA 0.001 nan 4.420 nan 0.000 0.262 112 P C -0.429 176.877 177.300 0.011 0.000 1.182 112 P CA -0.257 62.845 63.100 0.004 0.000 0.761 112 P CB 0.558 32.262 31.700 0.007 0.000 0.795 113 L N 3.044 124.275 121.223 0.014 0.000 2.473 113 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 113 L C 1.518 178.399 176.870 0.018 0.000 1.215 113 L CA 1.343 56.196 54.840 0.021 0.000 0.823 113 L CB -0.469 41.606 42.059 0.026 0.000 1.099 113 L HN 0.847 nan 8.230 nan 0.000 0.483 114 G N -0.088 108.725 108.800 0.021 0.000 2.325 114 G HA2 0.527 4.487 3.960 -0.000 0.000 0.295 114 G HA3 0.527 4.487 3.960 -0.000 0.000 0.295 114 G C -1.583 173.322 174.900 0.008 0.000 1.274 114 G CA -0.049 45.059 45.100 0.012 0.000 0.857 114 G HN 0.754 nan 8.290 nan 0.000 0.499 115 V N -2.245 117.665 119.914 -0.007 0.000 2.960 115 V HA 1.014 5.134 4.120 -0.000 0.000 0.315 115 V C 0.374 176.436 176.094 -0.053 0.000 1.087 115 V CA -0.263 62.028 62.300 -0.015 0.000 0.982 115 V CB 1.609 33.429 31.823 -0.004 0.000 1.039 115 V HN 1.915 nan 8.190 nan 0.000 0.437 116 G N 1.878 110.639 108.800 -0.065 0.000 2.530 116 G HA2 0.668 4.628 3.960 -0.000 0.000 0.316 116 G HA3 0.668 4.628 3.960 -0.000 0.000 0.316 116 G C -1.098 173.731 174.900 -0.117 0.000 1.298 116 G CA -0.668 44.357 45.100 -0.124 0.000 0.948 116 G HN 0.969 nan 8.290 nan 0.000 0.486 117 I N 1.491 121.995 120.570 -0.110 0.000 2.437 117 I HA 0.680 4.850 4.170 -0.000 0.000 0.298 117 I C -0.403 175.685 176.117 -0.048 0.000 0.984 117 I CA -0.427 60.814 61.300 -0.098 0.000 1.214 117 I CB 1.906 39.876 38.000 -0.050 0.000 1.365 117 I HN 0.412 nan 8.210 nan 0.000 0.469 118 S N 3.619 119.256 115.700 -0.106 0.000 2.595 118 S HA 0.960 5.430 4.470 -0.000 0.000 0.281 118 S C -0.365 174.300 174.600 0.108 0.000 1.117 118 S CA -0.462 57.814 58.200 0.127 0.000 0.873 118 S CB 2.038 65.203 63.200 -0.058 0.000 1.108 118 S HN 1.014 nan 8.310 nan 0.000 0.477 119 G N 0.512 109.459 108.800 0.245 0.000 2.428 119 G HA2 0.535 4.495 3.960 -0.000 0.000 0.304 119 G HA3 0.535 4.495 3.960 -0.000 0.000 0.304 119 G C -2.354 172.633 174.900 0.144 0.000 1.303 119 G CA -0.442 44.746 45.100 0.147 0.000 0.825 119 G HN 0.676 nan 8.290 nan 0.000 0.484 120 H N -0.360 118.720 119.070 0.016 0.000 3.099 120 H HA 0.414 4.970 4.556 -0.000 0.000 0.342 120 H C -2.406 172.900 175.328 -0.037 0.000 1.054 120 H CA -1.247 54.792 56.048 -0.015 0.000 1.328 120 H CB 2.851 32.602 29.762 -0.017 0.000 1.876 120 H HN 0.147 nan 8.280 nan 0.000 0.495 121 P HA 0.047 nan 4.420 nan 0.000 0.223 121 P C 0.324 177.741 177.300 0.194 0.000 1.151 121 P CA 0.986 64.189 63.100 0.171 0.000 0.787 121 P CB 0.412 32.135 31.700 0.038 0.000 0.788 122 L N -1.213 120.208 121.223 0.330 0.000 3.083 122 L HA 0.249 4.589 4.340 -0.000 0.000 0.286 122 L C -0.190 176.429 176.870 -0.419 0.000 1.307 122 L CA -0.969 53.812 54.840 -0.098 0.000 0.897 122 L CB 0.269 42.297 42.059 -0.051 0.000 1.306 122 L HN -0.073 nan 8.230 nan 0.000 0.569 123 L N 1.796 122.832 121.223 -0.313 0.000 2.540 123 L HA 0.044 4.384 4.340 -0.000 0.000 0.276 123 L C 0.853 177.576 176.870 -0.245 0.000 1.212 123 L CA 0.591 55.242 54.840 -0.315 0.000 0.893 123 L CB 0.219 42.221 42.059 -0.096 0.000 1.138 123 L HN 0.278 nan 8.230 nan 0.000 0.491 124 N N 5.535 124.070 118.700 -0.276 0.000 2.498 124 N HA 0.004 4.744 4.740 -0.000 0.000 0.277 124 N C -0.779 174.680 175.510 -0.086 0.000 1.208 124 N CA 0.180 53.114 53.050 -0.192 0.000 1.029 124 N CB -0.198 38.152 38.487 -0.228 0.000 1.403 124 N HN 0.543 nan 8.380 nan 0.000 0.500 125 K N 3.707 124.067 120.400 -0.066 0.000 2.270 125 K HA 0.183 4.503 4.320 -0.000 0.000 0.255 125 K C 0.158 176.710 176.600 -0.079 0.000 0.936 125 K CA -0.580 55.689 56.287 -0.030 0.000 0.809 125 K CB 1.806 34.145 32.500 -0.268 0.000 1.131 125 K HN 0.347 nan 8.250 nan 0.000 0.427 126 L N 2.970 124.168 121.223 -0.042 0.000 2.208 126 L HA 0.190 4.530 4.340 -0.000 0.000 0.196 126 L C -0.460 176.354 176.870 -0.092 0.000 1.130 126 L CA 1.408 56.214 54.840 -0.056 0.000 0.791 126 L CB 0.149 42.194 42.059 -0.023 0.000 0.969 126 L HN 0.902 nan 8.230 nan 0.000 0.468 127 D N -2.341 118.013 120.400 -0.077 0.000 2.671 127 D HA 0.215 4.855 4.640 -0.000 0.000 0.273 127 D C -1.626 174.690 176.300 0.026 0.000 1.264 127 D CA -0.660 53.307 54.000 -0.056 0.000 0.788 127 D CB 0.204 40.986 40.800 -0.029 0.000 1.324 127 D HN 0.035 nan 8.370 nan 0.000 0.424 128 D N -1.491 118.950 120.400 0.068 0.000 2.350 128 D HA 0.451 5.091 4.640 -0.000 0.000 0.249 128 D C 0.434 176.808 176.300 0.123 0.000 1.119 128 D CA -0.104 54.013 54.000 0.194 0.000 0.886 128 D CB 0.944 41.847 40.800 0.173 0.000 1.195 128 D HN 0.384 nan 8.370 nan 0.000 0.437 129 T N 0.299 114.927 114.554 0.123 0.000 3.043 129 T HA 0.060 4.410 4.350 -0.000 0.000 0.272 129 T C 1.362 176.077 174.700 0.025 0.000 0.990 129 T CA -0.378 61.769 62.100 0.078 0.000 0.897 129 T CB 0.001 68.961 68.868 0.153 0.000 1.111 129 T HN 0.560 nan 8.240 nan 0.000 0.529 130 E N 2.295 122.508 120.200 0.022 0.000 2.118 130 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 130 E C 0.439 177.032 176.600 -0.012 0.000 0.992 130 E CA 1.014 57.406 56.400 -0.014 0.000 0.804 130 E CB 0.145 29.837 29.700 -0.013 0.000 0.741 130 E HN 0.467 nan 8.360 nan 0.000 0.458 131 N N -1.133 117.570 118.700 0.005 0.000 2.864 131 N HA 0.311 5.051 4.740 -0.000 0.000 0.247 131 N C -1.934 173.577 175.510 0.001 0.000 1.071 131 N CA 0.120 53.168 53.050 -0.003 0.000 1.056 131 N CB 1.505 39.993 38.487 0.002 0.000 1.661 131 N HN 0.160 nan 8.380 nan 0.000 0.570 132 A N 1.350 124.162 122.820 -0.013 0.000 2.435 132 A HA 0.779 5.099 4.320 -0.000 0.000 0.296 132 A C 0.475 178.052 177.584 -0.011 0.000 1.147 132 A CA 0.128 52.153 52.037 -0.020 0.000 0.775 132 A CB 1.115 20.078 19.000 -0.062 0.000 1.340 132 A HN 1.056 nan 8.150 nan 0.000 0.427 133 S N -1.447 114.250 115.700 -0.005 0.000 2.631 133 S HA 0.628 5.098 4.470 -0.000 0.000 0.246 133 S C 0.316 174.926 174.600 0.017 0.000 1.068 133 S CA 0.772 58.976 58.200 0.006 0.000 0.995 133 S CB 0.219 63.425 63.200 0.010 0.000 0.944 133 S HN 2.342 nan 8.310 nan 0.000 0.529 134 A N 0.334 123.164 122.820 0.018 0.000 2.605 134 A HA 0.610 4.929 4.320 -0.000 0.000 0.294 134 A C -1.638 175.985 177.584 0.065 0.000 1.062 134 A CA -0.741 51.326 52.037 0.050 0.000 0.682 134 A CB 0.149 19.182 19.000 0.055 0.000 1.278 134 A HN 0.356 nan 8.150 nan 0.000 0.410 135 Y N 1.927 122.231 120.300 0.007 0.000 2.650 135 Y HA 0.313 4.863 4.550 -0.000 0.000 0.331 135 Y C 1.167 177.068 175.900 0.002 0.000 1.165 135 Y CA 1.063 59.166 58.100 0.005 0.000 1.473 135 Y CB 0.462 38.923 38.460 0.002 0.000 1.224 135 Y HN 1.027 nan 8.280 nan 0.000 0.533 136 A N 5.073 127.976 122.820 0.138 0.000 2.587 136 A HA 0.329 4.649 4.320 -0.000 0.000 0.235 136 A C 0.196 177.888 177.584 0.179 0.000 1.044 136 A CA 0.093 52.206 52.037 0.126 0.000 0.754 136 A CB -0.365 18.650 19.000 0.025 0.000 0.968 136 A HN 0.986 nan 8.150 nan 0.000 0.509 137 A N 4.026 126.900 122.820 0.089 0.000 2.454 137 A HA 0.440 4.760 4.320 -0.000 0.000 0.260 137 A C 0.645 178.259 177.584 0.051 0.000 1.106 137 A CA -0.514 51.558 52.037 0.059 0.000 0.780 137 A CB -0.440 18.576 19.000 0.028 0.000 1.044 137 A HN 0.978 nan 8.150 nan 0.000 0.498 138 N N 0.196 118.921 118.700 0.042 0.000 2.071 138 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 138 N C 0.073 175.589 175.510 0.011 0.000 1.227 138 N CA 1.610 54.674 53.050 0.023 0.000 0.851 138 N CB 0.143 38.633 38.487 0.007 0.000 1.062 138 N HN 0.904 nan 8.380 nan 0.000 0.471 139 A N 0.466 123.288 122.820 0.003 0.000 2.267 139 A HA 0.633 4.953 4.320 -0.000 0.000 0.315 139 A C 1.278 178.855 177.584 -0.012 0.000 1.297 139 A CA -0.209 51.823 52.037 -0.008 0.000 0.865 139 A CB 0.132 19.124 19.000 -0.013 0.000 1.165 139 A HN 0.675 nan 8.150 nan 0.000 0.513 140 G N 1.364 110.156 108.800 -0.013 0.000 2.776 140 G HA2 0.098 4.058 3.960 -0.000 0.000 0.210 140 G HA3 0.098 4.058 3.960 -0.000 0.000 0.210 140 G C 0.351 175.240 174.900 -0.018 0.000 1.086 140 G CA 1.485 46.576 45.100 -0.015 0.000 0.926 140 G HN 1.236 nan 8.290 nan 0.000 0.853 141 V N -0.497 119.404 119.914 -0.022 0.000 3.049 141 V HA 0.449 4.569 4.120 -0.000 0.000 0.309 141 V C -0.522 175.554 176.094 -0.030 0.000 1.148 141 V CA 0.062 62.346 62.300 -0.025 0.000 0.990 141 V CB 1.886 33.695 31.823 -0.023 0.000 1.039 141 V HN 0.834 nan 8.190 nan 0.000 0.430 142 D N 2.284 122.662 120.400 -0.037 0.000 2.904 142 D HA -0.177 4.463 4.640 -0.000 0.000 0.231 142 D C 0.575 176.846 176.300 -0.047 0.000 1.185 142 D CA 0.860 54.833 54.000 -0.044 0.000 0.783 142 D CB -0.521 40.255 40.800 -0.040 0.000 0.961 142 D HN 0.772 nan 8.370 nan 0.000 0.409 143 N N 0.534 119.203 118.700 -0.052 0.000 2.336 143 N HA 0.040 4.780 4.740 -0.000 0.000 0.189 143 N C 0.134 175.601 175.510 -0.071 0.000 1.113 143 N CA -0.260 52.758 53.050 -0.053 0.000 0.858 143 N CB 0.294 38.750 38.487 -0.051 0.000 0.970 143 N HN 0.351 nan 8.380 nan 0.000 0.471 144 R N 1.536 121.987 120.500 -0.081 0.000 2.598 144 R HA -0.076 4.264 4.340 -0.000 0.000 0.266 144 R C 0.086 176.331 176.300 -0.091 0.000 0.977 144 R CA 0.775 56.813 56.100 -0.103 0.000 1.097 144 R CB -0.011 30.216 30.300 -0.122 0.000 0.911 144 R HN 0.399 nan 8.270 nan 0.000 0.419 145 E N 0.674 120.811 120.200 -0.104 0.000 2.450 145 E HA 0.283 4.633 4.350 -0.000 0.000 0.272 145 E C -1.201 175.361 176.600 -0.063 0.000 0.967 145 E CA -1.029 55.321 56.400 -0.083 0.000 0.818 145 E CB 1.494 31.136 29.700 -0.096 0.000 1.401 145 E HN 0.496 nan 8.360 nan 0.000 0.450 146 C N 1.930 121.206 119.300 -0.040 0.000 2.200 146 C HA 0.619 5.079 4.460 -0.000 0.000 0.328 146 C C -0.338 174.648 174.990 -0.008 0.000 1.148 146 C CA -0.152 58.862 59.018 -0.007 0.000 1.624 146 C CB -2.125 25.614 27.740 -0.002 0.000 2.167 146 C HN 0.475 nan 8.230 nan 0.000 0.484 147 I N 4.547 125.127 120.570 0.018 0.000 3.108 147 I HA 0.731 4.901 4.170 -0.000 0.000 0.312 147 I C -0.096 176.075 176.117 0.090 0.000 1.095 147 I CA -0.059 61.269 61.300 0.046 0.000 1.000 147 I CB 2.636 40.674 38.000 0.063 0.000 1.229 147 I HN 0.706 nan 8.210 nan 0.000 0.454 148 S N 3.277 119.039 115.700 0.104 0.000 2.578 148 S HA 0.760 5.229 4.470 -0.000 0.000 0.272 148 S C -0.805 173.830 174.600 0.057 0.000 1.145 148 S CA -0.932 57.315 58.200 0.079 0.000 0.835 148 S CB 2.013 65.241 63.200 0.047 0.000 1.104 148 S HN 0.678 nan 8.310 nan 0.000 0.458 149 M N -0.329 119.256 119.600 -0.024 0.000 3.572 149 M HA 0.686 5.166 4.480 -0.000 0.000 0.339 149 M C -2.142 174.054 176.300 -0.174 0.000 1.556 149 M CA -0.674 54.590 55.300 -0.059 0.000 0.778 149 M CB 0.605 33.196 32.600 -0.015 0.000 2.186 149 M HN 0.704 nan 8.290 nan 0.000 0.437 150 D N 0.885 121.180 120.400 -0.174 0.000 2.389 150 D HA 0.390 5.030 4.640 -0.000 0.000 0.256 150 D C -1.230 175.014 176.300 -0.094 0.000 1.239 150 D CA -0.211 53.696 54.000 -0.155 0.000 0.925 150 D CB -0.032 40.723 40.800 -0.076 0.000 1.145 150 D HN 0.571 nan 8.370 nan 0.000 0.542 151 Y N 1.344 121.632 120.300 -0.020 0.000 2.607 151 Y HA -0.096 4.454 4.550 -0.000 0.000 0.348 151 Y C 1.785 177.660 175.900 -0.041 0.000 1.261 151 Y CA -0.501 57.576 58.100 -0.039 0.000 1.480 151 Y CB 0.827 39.294 38.460 0.011 0.000 1.358 151 Y HN 0.284 nan 8.280 nan 0.000 0.630 152 K N 2.560 123.039 120.400 0.131 0.000 2.524 152 K HA -0.105 4.215 4.320 -0.000 0.000 0.279 152 K C -0.508 176.148 176.600 0.092 0.000 0.993 152 K CA -0.222 56.106 56.287 0.070 0.000 1.030 152 K CB 0.405 32.923 32.500 0.031 0.000 0.891 152 K HN 0.659 nan 8.250 nan 0.000 0.488 153 Q N 2.387 122.238 119.800 0.085 0.000 2.293 153 Q HA 0.082 4.422 4.340 -0.000 0.000 0.263 153 Q C -1.046 175.009 176.000 0.092 0.000 1.002 153 Q CA 0.074 55.931 55.803 0.090 0.000 0.910 153 Q CB 0.945 29.733 28.738 0.084 0.000 1.185 153 Q HN 0.704 nan 8.270 nan 0.000 0.401 154 T N 4.351 118.964 114.554 0.098 0.000 2.890 154 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 154 T C -0.972 173.803 174.700 0.124 0.000 0.993 154 T CA -0.560 61.606 62.100 0.110 0.000 0.979 154 T CB 1.324 70.255 68.868 0.104 0.000 0.967 154 T HN 0.535 nan 8.240 nan 0.000 0.441 155 Q N 3.499 123.382 119.800 0.137 0.000 2.368 155 Q HA 0.634 4.974 4.340 -0.000 0.000 0.263 155 Q C -1.232 174.876 176.000 0.180 0.000 1.009 155 Q CA -0.898 55.030 55.803 0.209 0.000 0.818 155 Q CB 0.558 29.372 28.738 0.126 0.000 1.239 155 Q HN 0.646 nan 8.270 nan 0.000 0.464 156 L N 1.221 122.620 121.223 0.293 0.000 2.409 156 L HA 0.898 5.238 4.340 -0.000 0.000 0.255 156 L C -1.658 175.404 176.870 0.319 0.000 1.027 156 L CA -1.041 53.917 54.840 0.197 0.000 0.834 156 L CB 1.863 44.025 42.059 0.172 0.000 1.426 156 L HN 0.591 nan 8.230 nan 0.000 0.411 157 C N 2.366 121.755 119.300 0.148 0.000 2.607 157 C HA 0.849 5.309 4.460 -0.000 0.000 0.350 157 C C -1.054 173.984 174.990 0.081 0.000 1.101 157 C CA -0.520 58.617 59.018 0.199 0.000 1.282 157 C CB 0.045 27.921 27.740 0.227 0.000 1.825 157 C HN 0.917 nan 8.230 nan 0.000 0.460 158 L N 5.905 127.211 121.223 0.138 0.000 2.333 158 L HA 0.787 5.127 4.340 -0.000 0.000 0.269 158 L C -0.370 176.582 176.870 0.136 0.000 1.010 158 L CA -0.819 54.086 54.840 0.109 0.000 0.818 158 L CB 1.702 43.808 42.059 0.078 0.000 1.306 158 L HN 0.536 nan 8.230 nan 0.000 0.430 159 I N 0.774 121.430 120.570 0.143 0.000 2.571 159 I HA 0.738 4.907 4.170 -0.000 0.000 0.289 159 I C -0.139 175.853 176.117 -0.208 0.000 1.115 159 I CA -0.298 61.119 61.300 0.195 0.000 1.045 159 I CB 2.137 40.425 38.000 0.480 0.000 1.238 159 I HN 0.782 nan 8.210 nan 0.000 0.424 160 G N 2.594 111.255 108.800 -0.231 0.000 2.600 160 G HA2 0.416 4.376 3.960 -0.000 0.000 0.293 160 G HA3 0.416 4.376 3.960 -0.000 0.000 0.293 160 G C 0.040 174.854 174.900 -0.144 0.000 1.408 160 G CA -0.203 44.519 45.100 -0.631 0.000 0.782 160 G HN 0.740 nan 8.290 nan 0.000 0.482 161 C N -1.677 117.566 119.300 -0.094 0.000 2.791 161 C HA 0.523 4.983 4.460 -0.000 0.000 0.288 161 C C 0.610 175.581 174.990 -0.031 0.000 1.271 161 C CA -0.272 58.752 59.018 0.010 0.000 1.726 161 C CB -0.594 27.241 27.740 0.158 0.000 2.145 161 C HN 0.353 nan 8.230 nan 0.000 0.572 162 K N 2.014 122.453 120.400 0.064 0.000 2.177 162 K HA 0.570 4.890 4.320 -0.000 0.000 0.238 162 K C -2.792 174.045 176.600 0.394 0.000 1.015 162 K CA -2.390 53.993 56.287 0.160 0.000 0.922 162 K CB 0.120 32.651 32.500 0.051 0.000 1.127 162 K HN 0.105 nan 8.250 nan 0.000 0.469 163 P HA 0.183 nan 4.420 nan 0.000 0.278 163 P C -2.406 174.708 177.300 -0.310 0.000 1.238 163 P CA -1.340 61.473 63.100 -0.478 0.000 0.794 163 P CB -0.017 31.288 31.700 -0.659 0.000 0.955 164 P HA 0.130 nan 4.420 nan 0.000 0.266 164 P C -0.302 176.839 177.300 -0.265 0.000 1.193 164 P CA 0.560 63.507 63.100 -0.254 0.000 0.770 164 P CB 0.738 32.300 31.700 -0.229 0.000 0.836 165 I N 1.240 121.660 120.570 -0.250 0.000 2.436 165 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 165 I C 0.955 176.914 176.117 -0.263 0.000 1.010 165 I CA -0.448 60.712 61.300 -0.233 0.000 1.098 165 I CB 2.058 39.950 38.000 -0.178 0.000 1.266 165 I HN 0.402 nan 8.210 nan 0.000 0.434 166 G N 4.630 113.284 108.800 -0.244 0.000 2.557 166 G HA2 0.698 4.658 3.960 -0.000 0.000 0.302 166 G HA3 0.698 4.658 3.960 -0.000 0.000 0.302 166 G C -1.096 173.713 174.900 -0.153 0.000 1.311 166 G CA -0.297 44.654 45.100 -0.248 0.000 1.030 166 G HN 0.677 nan 8.290 nan 0.000 0.509 167 E N -1.377 118.760 120.200 -0.105 0.000 2.383 167 E HA 0.627 4.977 4.350 -0.000 0.000 0.275 167 E C -1.256 175.340 176.600 -0.005 0.000 0.918 167 E CA -1.022 55.321 56.400 -0.095 0.000 0.764 167 E CB 2.358 31.955 29.700 -0.172 0.000 1.252 167 E HN 0.808 nan 8.360 nan 0.000 0.449 168 H N -0.264 118.642 119.070 -0.274 0.000 2.917 168 H HA 0.362 4.918 4.556 -0.000 0.000 0.299 168 H C -1.876 173.300 175.328 -0.253 0.000 1.418 168 H CA -1.130 54.781 56.048 -0.228 0.000 1.138 168 H CB 0.278 29.970 29.762 -0.117 0.000 1.830 168 H HN 0.665 nan 8.280 nan 0.000 0.514 169 W N -0.176 121.018 121.300 -0.176 0.000 2.736 169 W HA 0.685 5.345 4.660 -0.000 0.000 0.355 169 W C 0.161 176.582 176.519 -0.164 0.000 1.102 169 W CA -0.260 56.952 57.345 -0.222 0.000 1.164 169 W CB 2.413 31.819 29.460 -0.090 0.000 1.422 169 W HN 1.018 nan 8.180 nan 0.000 0.572 170 G N 0.560 109.462 108.800 0.170 0.000 2.488 170 G HA2 0.382 4.342 3.960 -0.000 0.000 0.301 170 G HA3 0.382 4.342 3.960 -0.000 0.000 0.301 170 G C -2.170 172.776 174.900 0.077 0.000 1.339 170 G CA -1.106 44.046 45.100 0.087 0.000 0.803 170 G HN 0.304 nan 8.290 nan 0.000 0.482 171 K N 0.103 120.538 120.400 0.057 0.000 2.316 171 K HA 0.570 4.890 4.320 -0.000 0.000 0.267 171 K C -0.056 176.565 176.600 0.035 0.000 1.025 171 K CA -0.500 55.813 56.287 0.044 0.000 0.896 171 K CB 0.987 33.508 32.500 0.036 0.000 1.124 171 K HN 0.689 nan 8.250 nan 0.000 0.451 172 G N 2.850 111.670 108.800 0.035 0.000 3.288 172 G HA2 0.085 4.045 3.960 -0.000 0.000 0.337 172 G HA3 0.085 4.045 3.960 -0.000 0.000 0.337 172 G C -0.399 174.514 174.900 0.022 0.000 1.142 172 G CA -0.424 44.691 45.100 0.026 0.000 1.304 172 G HN 0.667 nan 8.290 nan 0.000 0.475 173 S N 1.983 117.694 115.700 0.018 0.000 4.466 173 S HA -0.123 4.347 4.470 -0.000 0.000 0.529 173 S C -0.724 173.884 174.600 0.014 0.000 1.031 173 S CA -0.180 58.028 58.200 0.014 0.000 0.906 173 S CB 0.319 63.526 63.200 0.011 0.000 1.279 173 S HN 0.570 nan 8.310 nan 0.000 0.417 174 P HA -0.032 nan 4.420 nan 0.000 0.285 174 P C -0.188 177.119 177.300 0.010 0.000 1.613 174 P CA -0.014 63.093 63.100 0.011 0.000 1.239 174 P CB 0.396 32.100 31.700 0.008 0.000 1.161 175 C N -1.570 117.735 119.300 0.009 0.000 2.481 175 C HA 0.278 4.738 4.460 -0.000 0.000 0.324 175 C C -0.338 174.656 174.990 0.007 0.000 1.170 175 C CA -0.215 58.808 59.018 0.008 0.000 1.361 175 C CB 0.675 28.421 27.740 0.009 0.000 1.977 175 C HN 0.421 nan 8.230 nan 0.000 0.459 176 T N 4.509 119.067 114.554 0.006 0.000 3.162 176 T HA 0.326 4.676 4.350 -0.000 0.000 0.264 176 T C -0.354 174.349 174.700 0.004 0.000 0.959 176 T CA 0.458 62.560 62.100 0.005 0.000 1.118 176 T CB -0.444 68.427 68.868 0.005 0.000 0.979 176 T HN 0.761 nan 8.240 nan 0.000 0.679 177 Q N 0.329 120.131 119.800 0.004 0.000 2.594 177 Q HA 0.365 4.705 4.340 -0.000 0.000 0.278 177 Q C -0.889 175.113 176.000 0.003 0.000 0.961 177 Q CA -1.081 54.724 55.803 0.004 0.000 0.844 177 Q CB 2.003 30.743 28.738 0.004 0.000 1.475 177 Q HN 0.259 nan 8.270 nan 0.000 0.389 178 V N 0.860 120.776 119.914 0.003 0.000 5.887 178 V HA -0.282 3.838 4.120 -0.000 0.000 0.167 178 V C 0.489 176.584 176.094 0.002 0.000 0.718 178 V CA 1.315 63.616 62.300 0.002 0.000 0.553 178 V CB -1.492 30.332 31.823 0.002 0.000 0.464 178 V HN 0.854 nan 8.190 nan 0.000 0.392 179 A N 4.665 127.486 122.820 0.002 0.000 3.004 179 A HA 0.502 4.822 4.320 -0.000 0.000 0.252 179 A C 0.787 178.372 177.584 0.001 0.000 1.802 179 A CA 0.414 52.453 52.037 0.002 0.000 1.424 179 A CB -0.783 18.218 19.000 0.002 0.000 1.005 179 A HN 2.034 nan 8.150 nan 0.000 0.631 180 V N -2.002 117.913 119.914 0.001 0.000 3.873 180 V HA -0.223 3.897 4.120 -0.000 0.000 0.549 180 V C 0.292 176.385 176.094 -0.000 0.000 0.709 180 V CA 0.966 63.267 62.300 0.000 0.000 2.119 180 V CB -0.419 31.404 31.823 0.000 0.000 2.498 180 V HN 0.894 nan 8.190 nan 0.000 0.523 181 Q N 3.061 122.861 119.800 -0.001 0.000 2.347 181 Q HA 0.402 4.742 4.340 -0.000 0.000 0.262 181 Q C -2.597 173.401 176.000 -0.002 0.000 0.980 181 Q CA -2.378 53.424 55.803 -0.002 0.000 0.867 181 Q CB 1.636 30.373 28.738 -0.001 0.000 1.242 181 Q HN 0.656 nan 8.270 nan 0.000 0.453 182 P HA -0.075 nan 4.420 nan 0.000 0.257 182 P C 0.320 177.617 177.300 -0.005 0.000 1.153 182 P CA 1.664 64.762 63.100 -0.004 0.000 0.762 182 P CB 0.275 31.973 31.700 -0.004 0.000 0.743 183 G N 3.573 112.369 108.800 -0.005 0.000 2.793 183 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.197 183 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.197 183 G C -0.278 174.619 174.900 -0.006 0.000 2.112 183 G CA -0.379 44.717 45.100 -0.007 0.000 1.556 183 G HN 0.478 nan 8.290 nan 0.000 0.534 184 D N 1.937 122.335 120.400 -0.004 0.000 3.030 184 D HA 0.249 4.889 4.640 -0.000 0.000 0.281 184 D C 1.164 177.462 176.300 -0.005 0.000 1.522 184 D CA 0.925 54.923 54.000 -0.004 0.000 1.219 184 D CB -0.418 40.380 40.800 -0.002 0.000 1.176 184 D HN 0.673 nan 8.370 nan 0.000 0.603 185 C N 4.280 123.576 119.300 -0.007 0.000 2.149 185 C HA -0.096 4.364 4.460 -0.000 0.000 0.391 185 C C -1.554 173.431 174.990 -0.008 0.000 1.484 185 C CA -1.295 57.717 59.018 -0.010 0.000 1.517 185 C CB -0.299 27.431 27.740 -0.016 0.000 2.605 185 C HN 0.517 nan 8.230 nan 0.000 0.561 186 P HA 0.252 nan 4.420 nan 0.000 0.269 186 P C -2.559 174.737 177.300 -0.006 0.000 1.209 186 P CA -0.702 62.397 63.100 -0.002 0.000 0.776 186 P CB -0.175 31.527 31.700 0.004 0.000 0.876 187 P HA 0.129 nan 4.420 nan 0.000 0.280 187 P C -0.190 177.121 177.300 0.019 0.000 1.300 187 P CA -0.115 62.990 63.100 0.008 0.000 0.785 187 P CB 0.271 31.981 31.700 0.018 0.000 0.874 188 L N 3.184 124.405 121.223 -0.004 0.000 2.473 188 L HA 0.244 4.584 4.340 -0.000 0.000 0.265 188 L C 0.819 177.788 176.870 0.166 0.000 1.243 188 L CA 0.836 55.699 54.840 0.039 0.000 0.822 188 L CB -0.426 41.535 42.059 -0.162 0.000 1.101 188 L HN 0.491 nan 8.230 nan 0.000 0.507 189 E N 0.634 121.027 120.200 0.322 0.000 2.506 189 E HA 0.184 4.534 4.350 -0.000 0.000 0.308 189 E C -1.502 175.196 176.600 0.163 0.000 0.931 189 E CA -0.748 55.788 56.400 0.226 0.000 0.800 189 E CB 1.462 31.203 29.700 0.070 0.000 1.292 189 E HN 0.322 nan 8.360 nan 0.000 0.401 190 L N 5.358 126.526 121.223 -0.092 0.000 2.525 190 L HA 0.311 4.651 4.340 -0.000 0.000 0.278 190 L C -0.925 175.710 176.870 -0.391 0.000 1.218 190 L CA 0.940 55.399 54.840 -0.634 0.000 0.878 190 L CB 0.260 41.886 42.059 -0.722 0.000 1.127 190 L HN 0.489 nan 8.230 nan 0.000 0.492 191 I N 5.213 125.484 120.570 -0.499 0.000 2.499 191 I HA 0.343 4.513 4.170 -0.000 0.000 0.288 191 I C -0.325 175.669 176.117 -0.204 0.000 1.048 191 I CA -0.687 60.407 61.300 -0.344 0.000 1.062 191 I CB 1.615 39.342 38.000 -0.456 0.000 1.238 191 I HN 0.556 nan 8.210 nan 0.000 0.426 192 N N 3.309 121.942 118.700 -0.113 0.000 2.489 192 N HA 0.609 5.349 4.740 -0.000 0.000 0.284 192 N C -0.513 174.984 175.510 -0.021 0.000 1.158 192 N CA -0.069 52.932 53.050 -0.081 0.000 0.965 192 N CB 2.306 40.739 38.487 -0.090 0.000 1.195 192 N HN 0.690 nan 8.380 nan 0.000 0.506 193 T N -2.112 112.418 114.554 -0.040 0.000 3.003 193 T HA 0.159 4.509 4.350 -0.000 0.000 0.354 193 T C -1.084 173.551 174.700 -0.108 0.000 1.651 193 T CA -0.745 61.339 62.100 -0.026 0.000 1.103 193 T CB 0.143 69.022 68.868 0.018 0.000 1.450 193 T HN 0.044 nan 8.240 nan 0.000 0.484 194 V N 4.285 124.126 119.914 -0.122 0.000 2.740 194 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 194 V C 0.759 176.733 176.094 -0.199 0.000 1.054 194 V CA -0.134 62.011 62.300 -0.257 0.000 1.106 194 V CB 0.546 32.019 31.823 -0.582 0.000 0.957 194 V HN 0.746 nan 8.190 nan 0.000 0.486 195 I N 4.853 125.283 120.570 -0.234 0.000 2.310 195 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 195 I C 0.526 176.570 176.117 -0.122 0.000 1.073 195 I CA -0.171 60.954 61.300 -0.292 0.000 1.216 195 I CB 0.594 38.265 38.000 -0.549 0.000 1.415 195 I HN 0.740 nan 8.210 nan 0.000 0.480 196 Q N 3.143 122.895 119.800 -0.081 0.000 2.454 196 Q HA 0.052 4.392 4.340 -0.000 0.000 0.247 196 Q C -0.164 175.833 176.000 -0.005 0.000 1.028 196 Q CA -0.281 55.487 55.803 -0.059 0.000 0.910 196 Q CB 0.857 29.495 28.738 -0.166 0.000 1.276 196 Q HN 0.480 nan 8.270 nan 0.000 0.489 197 D N -0.956 119.459 120.400 0.024 0.000 2.399 197 D HA 0.208 4.848 4.640 -0.000 0.000 0.241 197 D C 0.820 177.138 176.300 0.032 0.000 1.133 197 D CA 1.447 55.487 54.000 0.067 0.000 0.890 197 D CB 0.311 41.144 40.800 0.055 0.000 1.201 197 D HN 0.631 nan 8.370 nan 0.000 0.432 198 G N 2.594 111.439 108.800 0.074 0.000 2.199 198 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 198 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 198 G C 0.208 175.156 174.900 0.080 0.000 0.982 198 G CA 0.291 45.427 45.100 0.059 0.000 0.632 198 G HN 0.652 nan 8.290 nan 0.000 0.529 199 D N 0.470 120.930 120.400 0.099 0.000 2.384 199 D HA 0.479 5.119 4.640 -0.000 0.000 0.244 199 D C 0.979 177.402 176.300 0.205 0.000 1.251 199 D CA 0.124 54.180 54.000 0.093 0.000 0.961 199 D CB 0.316 41.110 40.800 -0.010 0.000 1.116 199 D HN 0.025 nan 8.370 nan 0.000 0.484 200 M N 1.244 120.940 119.600 0.161 0.000 2.180 200 M HA 0.184 4.664 4.480 -0.000 0.000 0.350 200 M C 0.216 176.659 176.300 0.238 0.000 1.125 200 M CA -0.977 54.427 55.300 0.173 0.000 1.031 200 M CB 0.959 33.635 32.600 0.126 0.000 1.623 200 M HN 0.168 nan 8.290 nan 0.000 0.451 201 V N -0.037 119.984 119.914 0.179 0.000 3.766 201 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 201 V C 0.431 176.612 176.094 0.145 0.000 1.055 201 V CA -0.648 61.756 62.300 0.172 0.000 1.060 201 V CB 0.139 31.929 31.823 -0.054 0.000 1.210 201 V HN 0.783 nan 8.190 nan 0.000 0.457 202 D N 0.044 120.540 120.400 0.161 0.000 2.382 202 D HA 0.295 4.935 4.640 -0.000 0.000 0.240 202 D C 0.987 177.279 176.300 -0.012 0.000 1.146 202 D CA 0.767 54.820 54.000 0.088 0.000 0.897 202 D CB 1.387 42.225 40.800 0.065 0.000 1.197 202 D HN 0.975 nan 8.370 nan 0.000 0.432 203 T N -0.674 113.834 114.554 -0.077 0.000 3.016 203 T HA 0.424 4.774 4.350 -0.000 0.000 0.271 203 T C 1.159 175.786 174.700 -0.120 0.000 0.968 203 T CA 0.319 62.258 62.100 -0.269 0.000 0.891 203 T CB 0.689 68.977 68.868 -0.968 0.000 1.149 203 T HN 0.561 nan 8.240 nan 0.000 0.524 204 G N 0.760 109.502 108.800 -0.096 0.000 2.485 204 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.181 204 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.181 204 G C 0.281 175.015 174.900 -0.278 0.000 0.999 204 G CA -0.323 44.643 45.100 -0.223 0.000 0.721 204 G HN 0.450 nan 8.290 nan 0.000 0.486 205 F N 1.852 121.898 119.950 0.160 0.000 2.654 205 F HA 0.495 5.022 4.527 -0.000 0.000 0.303 205 F C 1.477 177.417 175.800 0.233 0.000 1.099 205 F CA 0.603 58.733 58.000 0.217 0.000 1.270 205 F CB 1.321 40.482 39.000 0.268 0.000 1.024 205 F HN 0.670 nan 8.300 nan 0.000 0.548 206 G N 0.996 109.967 108.800 0.284 0.000 2.603 206 G HA2 0.200 4.160 3.960 -0.000 0.000 0.686 206 G HA3 0.200 4.160 3.960 -0.000 0.000 0.686 206 G C -1.249 173.747 174.900 0.161 0.000 1.286 206 G CA -0.721 44.504 45.100 0.208 0.000 0.871 206 G HN 0.459 nan 8.290 nan 0.000 0.568 207 A N 0.651 123.560 122.820 0.148 0.000 2.271 207 A HA 1.003 5.323 4.320 -0.000 0.000 0.317 207 A C 0.411 178.100 177.584 0.176 0.000 1.245 207 A CA 0.808 52.910 52.037 0.108 0.000 0.857 207 A CB 0.330 19.398 19.000 0.114 0.000 1.175 207 A HN 2.224 nan 8.150 nan 0.000 0.512 208 M N 0.316 119.905 119.600 -0.018 0.000 3.547 208 M HA 0.507 4.987 4.480 -0.000 0.000 0.455 208 M C -2.041 174.133 176.300 -0.210 0.000 1.916 208 M CA -0.696 54.608 55.300 0.008 0.000 0.850 208 M CB 1.141 33.706 32.600 -0.059 0.000 3.132 208 M HN 0.399 nan 8.290 nan 0.000 0.494 209 D N 0.333 120.659 120.400 -0.122 0.000 2.363 209 D HA 0.480 5.120 4.640 -0.000 0.000 0.258 209 D C -0.168 176.127 176.300 -0.008 0.000 1.259 209 D CA -0.470 53.489 54.000 -0.067 0.000 0.921 209 D CB 0.137 41.010 40.800 0.120 0.000 1.201 209 D HN 0.574 nan 8.370 nan 0.000 0.524 210 F N 0.774 120.770 119.950 0.078 0.000 2.115 210 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 210 F C 2.318 178.134 175.800 0.028 0.000 1.092 210 F CA 1.300 59.324 58.000 0.040 0.000 1.245 210 F CB -0.234 38.787 39.000 0.036 0.000 0.995 210 F HN 0.288 nan 8.300 nan 0.000 0.481 211 T N -1.432 113.250 114.554 0.214 0.000 2.849 211 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 211 T C 1.943 176.697 174.700 0.090 0.000 1.066 211 T CA 1.840 64.013 62.100 0.122 0.000 1.130 211 T CB -0.496 68.427 68.868 0.091 0.000 0.864 211 T HN 0.492 nan 8.240 nan 0.000 0.481 212 T N -1.017 113.592 114.554 0.092 0.000 2.990 212 T HA 0.252 4.602 4.350 -0.000 0.000 0.249 212 T C 1.731 176.469 174.700 0.063 0.000 1.039 212 T CA -0.260 61.881 62.100 0.069 0.000 1.036 212 T CB -0.047 68.861 68.868 0.065 0.000 0.994 212 T HN 0.108 nan 8.240 nan 0.000 0.489 213 L N 0.892 122.164 121.223 0.082 0.000 2.249 213 L HA 0.316 4.656 4.340 -0.000 0.000 0.207 213 L C 0.801 177.706 176.870 0.058 0.000 1.090 213 L CA 1.040 55.920 54.840 0.068 0.000 0.802 213 L CB -0.851 41.258 42.059 0.085 0.000 0.947 213 L HN 0.531 nan 8.230 nan 0.000 0.453 214 Q N -0.446 119.403 119.800 0.082 0.000 2.425 214 Q HA 0.433 4.773 4.340 -0.000 0.000 0.254 214 Q C 0.777 176.789 176.000 0.020 0.000 1.032 214 Q CA -0.092 55.733 55.803 0.036 0.000 0.798 214 Q CB 1.574 30.324 28.738 0.019 0.000 1.210 214 Q HN 0.089 nan 8.270 nan 0.000 0.491 215 A N 2.944 125.766 122.820 0.002 0.000 2.015 215 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 215 A C 1.833 179.405 177.584 -0.020 0.000 1.163 215 A CA 1.248 53.282 52.037 -0.004 0.000 0.646 215 A CB -0.274 18.722 19.000 -0.007 0.000 0.806 215 A HN 0.776 nan 8.150 nan 0.000 0.448 216 N N 0.411 119.087 118.700 -0.041 0.000 2.348 216 N HA -0.220 4.520 4.740 -0.000 0.000 0.185 216 N C 0.734 176.205 175.510 -0.066 0.000 1.019 216 N CA 1.544 54.553 53.050 -0.067 0.000 0.880 216 N CB -0.361 38.063 38.487 -0.105 0.000 0.965 216 N HN 0.508 nan 8.380 nan 0.000 0.437 217 K N -0.270 120.105 120.400 -0.042 0.000 2.975 217 K HA -0.205 4.115 4.320 -0.000 0.000 0.257 217 K C -1.196 175.394 176.600 -0.018 0.000 1.005 217 K CA 0.955 57.233 56.287 -0.015 0.000 0.738 217 K CB -1.638 30.866 32.500 0.006 0.000 1.236 217 K HN 0.417 nan 8.250 nan 0.000 0.483 218 S N -1.268 114.351 115.700 -0.134 0.000 2.949 218 S HA 0.106 4.576 4.470 -0.000 0.000 0.136 218 S C -0.322 174.039 174.600 -0.398 0.000 0.855 218 S CA -0.860 57.135 58.200 -0.342 0.000 0.869 218 S CB 0.199 63.051 63.200 -0.579 0.000 1.577 218 S HN 0.292 nan 8.310 nan 0.000 0.602 219 E N 0.826 120.799 120.200 -0.378 0.000 2.601 219 E HA 0.282 4.632 4.350 -0.000 0.000 0.219 219 E C 0.371 176.581 176.600 -0.651 0.000 0.964 219 E CA 0.338 56.428 56.400 -0.517 0.000 1.050 219 E CB 1.734 31.137 29.700 -0.495 0.000 1.068 219 E HN 0.753 nan 8.360 nan 0.000 0.496 220 V N -2.143 117.484 119.914 -0.478 0.000 3.048 220 V HA 0.452 4.572 4.120 -0.000 0.000 0.303 220 V C -3.038 173.063 176.094 0.010 0.000 1.214 220 V CA -2.931 59.147 62.300 -0.369 0.000 0.984 220 V CB 1.761 33.168 31.823 -0.693 0.000 1.054 220 V HN -0.251 nan 8.190 nan 0.000 0.430 221 P HA -0.091 nan 4.420 nan 0.000 0.273 221 P C 0.851 178.311 177.300 0.266 0.000 1.193 221 P CA 0.313 63.596 63.100 0.305 0.000 0.777 221 P CB 0.322 32.295 31.700 0.455 0.000 0.803 222 L N 2.462 123.805 121.223 0.201 0.000 2.081 222 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 222 L C 1.721 178.782 176.870 0.318 0.000 1.080 222 L CA 2.280 57.199 54.840 0.131 0.000 0.754 222 L CB -1.397 40.668 42.059 0.011 0.000 0.893 222 L HN 0.481 nan 8.230 nan 0.000 0.433 223 D N -1.099 119.578 120.400 0.462 0.000 2.219 223 D HA -0.197 4.443 4.640 -0.000 0.000 0.205 223 D C 1.912 178.379 176.300 0.278 0.000 0.970 223 D CA 1.764 55.988 54.000 0.374 0.000 0.851 223 D CB -0.370 40.624 40.800 0.323 0.000 0.943 223 D HN 0.549 nan 8.370 nan 0.000 0.488 224 I N -0.763 119.964 120.570 0.263 0.000 3.339 224 I HA 0.051 4.221 4.170 -0.000 0.000 0.285 224 I C 1.867 178.123 176.117 0.231 0.000 1.201 224 I CA 0.061 61.520 61.300 0.265 0.000 1.434 224 I CB -0.793 37.370 38.000 0.272 0.000 1.152 224 I HN 0.122 nan 8.210 nan 0.000 0.443 225 C N 1.762 121.109 119.300 0.079 0.000 2.397 225 C HA -0.153 4.307 4.460 -0.000 0.000 0.282 225 C C 2.485 177.556 174.990 0.135 0.000 1.252 225 C CA 1.419 60.462 59.018 0.041 0.000 1.811 225 C CB -2.615 25.158 27.740 0.055 0.000 2.027 225 C HN 0.731 nan 8.230 nan 0.000 0.503 226 T N -2.735 111.907 114.554 0.148 0.000 3.176 226 T HA 0.380 4.730 4.350 -0.000 0.000 0.263 226 T C 0.379 175.167 174.700 0.146 0.000 1.021 226 T CA 0.100 62.279 62.100 0.131 0.000 0.905 226 T CB -0.038 68.884 68.868 0.091 0.000 1.057 226 T HN 0.549 nan 8.240 nan 0.000 0.558 227 S N 0.641 116.469 115.700 0.213 0.000 2.823 227 S HA 0.804 5.274 4.470 -0.000 0.000 0.316 227 S C -0.980 173.689 174.600 0.114 0.000 1.116 227 S CA -0.851 57.442 58.200 0.155 0.000 0.911 227 S CB 0.884 64.182 63.200 0.164 0.000 1.276 227 S HN 0.228 nan 8.310 nan 0.000 0.565 228 I N 0.844 121.416 120.570 0.003 0.000 2.406 228 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 228 I C -0.873 175.174 176.117 -0.116 0.000 0.999 228 I CA -0.149 61.063 61.300 -0.147 0.000 1.124 228 I CB 1.120 38.956 38.000 -0.273 0.000 1.289 228 I HN 0.493 nan 8.210 nan 0.000 0.441 229 C N 5.512 124.709 119.300 -0.172 0.000 2.329 229 C HA 0.589 5.049 4.460 -0.000 0.000 0.329 229 C C 0.214 175.192 174.990 -0.021 0.000 1.275 229 C CA -0.796 58.202 59.018 -0.034 0.000 1.726 229 C CB 0.364 28.112 27.740 0.014 0.000 2.291 229 C HN 0.663 nan 8.230 nan 0.000 0.514 230 K N 1.819 122.258 120.400 0.065 0.000 2.371 230 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 230 K C -1.716 174.997 176.600 0.188 0.000 0.934 230 K CA -0.584 55.715 56.287 0.020 0.000 0.798 230 K CB 2.226 34.611 32.500 -0.192 0.000 1.204 230 K HN 0.618 nan 8.250 nan 0.000 0.427 231 Y N 2.933 123.206 120.300 -0.044 0.000 2.350 231 Y HA 0.325 4.875 4.550 -0.000 0.000 0.338 231 Y C -2.534 173.239 175.900 -0.211 0.000 0.961 231 Y CA -2.616 55.453 58.100 -0.051 0.000 1.100 231 Y CB 1.568 39.998 38.460 -0.050 0.000 1.179 231 Y HN 0.398 nan 8.280 nan 0.000 0.454 232 P HA -0.014 nan 4.420 nan 0.000 0.263 232 P C -0.531 176.150 177.300 -1.032 0.000 1.195 232 P CA 0.347 62.906 63.100 -0.902 0.000 0.762 232 P CB 0.499 31.535 31.700 -1.107 0.000 0.799 233 D N 3.061 123.116 120.400 -0.575 0.000 2.713 233 D HA 0.039 4.679 4.640 -0.000 0.000 0.229 233 D C 0.871 176.993 176.300 -0.296 0.000 1.136 233 D CA -0.316 53.462 54.000 -0.370 0.000 1.010 233 D CB -0.757 39.913 40.800 -0.216 0.000 1.084 233 D HN 0.323 nan 8.370 nan 0.000 0.495 234 Y N 1.028 121.158 120.300 -0.282 0.000 1.929 234 Y HA -0.415 4.135 4.550 -0.000 0.000 0.247 234 Y C 2.351 178.126 175.900 -0.209 0.000 1.176 234 Y CA 0.603 58.503 58.100 -0.333 0.000 1.075 234 Y CB -0.274 37.976 38.460 -0.350 0.000 0.907 234 Y HN 0.249 nan 8.280 nan 0.000 0.499 235 I N 0.350 120.966 120.570 0.077 0.000 2.181 235 I HA -0.453 3.717 4.170 -0.000 0.000 0.240 235 I C 2.309 178.425 176.117 -0.001 0.000 1.006 235 I CA 2.100 63.420 61.300 0.032 0.000 1.284 235 I CB -1.413 36.607 38.000 0.034 0.000 0.990 235 I HN 0.339 nan 8.210 nan 0.000 0.408 236 K N 0.050 120.430 120.400 -0.034 0.000 2.025 236 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 236 K C 2.300 178.879 176.600 -0.035 0.000 1.049 236 K CA 1.233 57.496 56.287 -0.040 0.000 0.933 236 K CB -0.058 32.401 32.500 -0.068 0.000 0.714 236 K HN 0.208 nan 8.250 nan 0.000 0.438 237 M N 0.265 119.828 119.600 -0.063 0.000 2.149 237 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 237 M C 2.084 178.379 176.300 -0.008 0.000 1.064 237 M CA 1.267 56.535 55.300 -0.054 0.000 1.102 237 M CB -0.131 32.408 32.600 -0.102 0.000 1.369 237 M HN 0.018 nan 8.290 nan 0.000 0.408 238 V N -0.364 119.547 119.914 -0.005 0.000 2.244 238 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 238 V C 2.171 178.303 176.094 0.064 0.000 1.042 238 V CA 2.087 64.413 62.300 0.042 0.000 1.006 238 V CB -0.851 30.994 31.823 0.037 0.000 0.641 238 V HN 0.418 nan 8.190 nan 0.000 0.446 239 S N -0.437 115.291 115.700 0.046 0.000 2.512 239 S HA -0.176 4.294 4.470 -0.000 0.000 0.253 239 S C 0.915 175.547 174.600 0.052 0.000 0.984 239 S CA 0.721 58.950 58.200 0.048 0.000 0.962 239 S CB -0.617 62.600 63.200 0.029 0.000 0.747 239 S HN 0.738 nan 8.310 nan 0.000 0.525 240 E N 2.899 123.133 120.200 0.056 0.000 2.558 240 E HA -0.029 4.321 4.350 -0.000 0.000 0.255 240 E C -0.938 175.724 176.600 0.102 0.000 0.968 240 E CA -1.152 55.292 56.400 0.074 0.000 0.939 240 E CB 0.502 30.246 29.700 0.074 0.000 0.921 240 E HN 0.092 nan 8.360 nan 0.000 0.477 241 P HA -0.207 nan 4.420 nan 0.000 0.208 241 P C 0.660 177.968 177.300 0.013 0.000 1.195 241 P CA 1.499 64.597 63.100 -0.004 0.000 0.927 241 P CB -0.282 31.370 31.700 -0.078 0.000 0.778 242 Y N -0.103 120.208 120.300 0.019 0.000 2.651 242 Y HA 0.134 4.684 4.550 -0.000 0.000 0.296 242 Y C 1.876 177.906 175.900 0.217 0.000 1.150 242 Y CA 1.067 59.215 58.100 0.079 0.000 1.348 242 Y CB -1.362 37.129 38.460 0.052 0.000 0.983 242 Y HN 0.177 nan 8.280 nan 0.000 0.555 243 G N 0.592 109.586 108.800 0.324 0.000 2.323 243 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.292 243 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.292 243 G C 0.501 175.573 174.900 0.286 0.000 1.040 243 G CA 0.733 46.012 45.100 0.297 0.000 0.942 243 G HN 0.422 nan 8.290 nan 0.000 0.506 244 D N -0.404 120.135 120.400 0.230 0.000 2.249 244 D HA 0.106 4.746 4.640 -0.000 0.000 0.205 244 D C 2.526 178.855 176.300 0.048 0.000 0.962 244 D CA 1.200 55.319 54.000 0.198 0.000 0.860 244 D CB 0.131 41.027 40.800 0.160 0.000 0.955 244 D HN 0.393 nan 8.370 nan 0.000 0.505 245 S N 0.035 115.738 115.700 0.006 0.000 2.335 245 S HA 0.012 4.482 4.470 -0.000 0.000 0.216 245 S C 0.962 175.443 174.600 -0.198 0.000 1.032 245 S CA 0.634 58.791 58.200 -0.071 0.000 1.000 245 S CB -0.204 62.961 63.200 -0.058 0.000 0.928 245 S HN 0.341 nan 8.310 nan 0.000 0.434 246 L N -1.379 119.731 121.223 -0.189 0.000 2.401 246 L HA 0.681 5.021 4.340 -0.000 0.000 0.266 246 L C -0.226 176.577 176.870 -0.112 0.000 0.991 246 L CA -0.978 53.692 54.840 -0.283 0.000 0.818 246 L CB 1.527 43.532 42.059 -0.090 0.000 1.321 246 L HN 0.239 nan 8.230 nan 0.000 0.413 247 F N 0.749 120.828 119.950 0.215 0.000 2.747 247 F HA 0.516 5.043 4.527 -0.000 0.000 0.305 247 F C -0.106 175.858 175.800 0.274 0.000 1.065 247 F CA -0.876 57.256 58.000 0.219 0.000 1.230 247 F CB -0.309 38.803 39.000 0.187 0.000 1.027 247 F HN 0.374 nan 8.300 nan 0.000 0.607 248 F N 2.067 122.397 119.950 0.634 0.000 2.556 248 F HA 0.689 5.216 4.527 -0.000 0.000 0.327 248 F C -1.301 174.602 175.800 0.172 0.000 1.059 248 F CA -2.183 55.978 58.000 0.268 0.000 0.953 248 F CB 1.928 41.075 39.000 0.244 0.000 1.227 248 F HN 0.099 nan 8.300 nan 0.000 0.478 249 Y N 4.022 123.700 120.300 -1.036 0.000 2.365 249 Y HA 0.545 5.095 4.550 -0.000 0.000 0.324 249 Y C -2.754 172.683 175.900 -0.771 0.000 1.330 249 Y CA -2.068 55.593 58.100 -0.731 0.000 1.271 249 Y CB -0.047 38.225 38.460 -0.313 0.000 1.306 249 Y HN 0.591 nan 8.280 nan 0.000 0.451 250 L N 3.308 124.135 121.223 -0.660 0.000 2.464 250 L HA 0.843 5.183 4.340 -0.000 0.000 0.266 250 L C -0.600 176.135 176.870 -0.225 0.000 0.965 250 L CA -1.537 52.984 54.840 -0.531 0.000 0.833 250 L CB 2.093 43.832 42.059 -0.533 0.000 1.296 250 L HN 0.869 nan 8.230 nan 0.000 0.405 251 R N 1.054 121.480 120.500 -0.123 0.000 2.803 251 R HA 0.948 5.288 4.340 -0.000 0.000 0.276 251 R C -0.545 175.749 176.300 -0.011 0.000 0.978 251 R CA -0.964 55.144 56.100 0.014 0.000 0.939 251 R CB 2.167 32.524 30.300 0.095 0.000 1.179 251 R HN 0.690 nan 8.270 nan 0.000 0.472 252 R N 1.428 121.953 120.500 0.042 0.000 2.857 252 R HA 0.097 4.437 4.340 -0.000 0.000 0.216 252 R C -1.303 175.039 176.300 0.069 0.000 1.555 252 R CA -0.235 55.882 56.100 0.027 0.000 1.408 252 R CB 0.577 30.859 30.300 -0.030 0.000 1.553 252 R HN 0.912 nan 8.270 nan 0.000 0.708 253 E N 1.981 122.242 120.200 0.102 0.000 2.319 253 E HA 0.288 4.638 4.350 -0.000 0.000 0.268 253 E C -0.877 175.770 176.600 0.078 0.000 1.050 253 E CA -0.857 55.604 56.400 0.102 0.000 0.878 253 E CB 1.328 31.111 29.700 0.137 0.000 1.066 253 E HN 0.475 nan 8.360 nan 0.000 0.406 254 Q N 1.810 121.656 119.800 0.077 0.000 2.352 254 Q HA 0.533 4.873 4.340 -0.000 0.000 0.270 254 Q C -1.157 174.898 176.000 0.091 0.000 1.006 254 Q CA -0.777 55.071 55.803 0.075 0.000 0.880 254 Q CB 1.928 30.706 28.738 0.067 0.000 1.392 254 Q HN 0.598 nan 8.270 nan 0.000 0.401 255 M N 3.017 122.680 119.600 0.105 0.000 2.721 255 M HA 0.806 5.286 4.480 -0.000 0.000 0.271 255 M C -2.073 174.352 176.300 0.208 0.000 1.259 255 M CA -0.721 54.642 55.300 0.105 0.000 0.835 255 M CB 2.574 35.190 32.600 0.027 0.000 1.689 255 M HN 0.989 nan 8.290 nan 0.000 0.470 256 F N 0.163 120.093 119.950 -0.033 0.000 2.807 256 F HA 0.667 5.194 4.527 -0.000 0.000 0.316 256 F C -1.828 173.934 175.800 -0.062 0.000 1.162 256 F CA -1.092 56.882 58.000 -0.045 0.000 0.910 256 F CB 0.291 39.265 39.000 -0.044 0.000 1.314 256 F HN 0.375 nan 8.300 nan 0.000 0.454 257 V N 1.344 121.298 119.914 0.066 0.000 2.530 257 V HA 0.563 4.683 4.120 -0.000 0.000 0.282 257 V C 0.507 176.415 176.094 -0.309 0.000 1.048 257 V CA -0.049 62.151 62.300 -0.167 0.000 0.997 257 V CB 0.943 32.742 31.823 -0.040 0.000 0.987 257 V HN 1.097 nan 8.190 nan 0.000 0.477 258 R N 2.239 122.482 120.500 -0.429 0.000 2.140 258 R HA 0.321 4.661 4.340 -0.000 0.000 0.200 258 R C 0.420 176.421 176.300 -0.497 0.000 1.069 258 R CA 0.665 56.507 56.100 -0.430 0.000 1.088 258 R CB 0.141 30.227 30.300 -0.357 0.000 1.012 258 R HN 0.901 nan 8.270 nan 0.000 0.500 259 H N -1.700 117.162 119.070 -0.348 0.000 2.908 259 H HA 0.610 5.166 4.556 -0.000 0.000 0.350 259 H C -1.532 173.403 175.328 -0.655 0.000 1.217 259 H CA -0.719 55.016 56.048 -0.522 0.000 1.168 259 H CB 1.836 31.140 29.762 -0.763 0.000 1.891 259 H HN -0.073 nan 8.280 nan 0.000 0.566 260 L N 1.632 122.529 121.223 -0.542 0.000 2.439 260 L HA 0.427 4.767 4.340 -0.000 0.000 0.270 260 L C -1.195 175.499 176.870 -0.294 0.000 0.972 260 L CA -0.046 54.545 54.840 -0.414 0.000 0.836 260 L CB 1.020 42.969 42.059 -0.182 0.000 1.255 260 L HN 0.476 nan 8.230 nan 0.000 0.404 261 F N 0.539 120.263 119.950 -0.377 0.000 2.679 261 F HA 0.519 5.046 4.527 -0.000 0.000 0.341 261 F C 0.044 175.667 175.800 -0.296 0.000 1.095 261 F CA -1.064 56.642 58.000 -0.490 0.000 1.004 261 F CB 2.212 40.563 39.000 -1.083 0.000 1.388 261 F HN 0.450 nan 8.300 nan 0.000 0.505 262 N N 0.442 119.190 118.700 0.081 0.000 2.461 262 N HA 0.244 4.984 4.740 -0.000 0.000 0.284 262 N C -1.305 174.328 175.510 0.205 0.000 1.049 262 N CA -0.811 52.292 53.050 0.089 0.000 0.889 262 N CB 0.888 39.376 38.487 0.000 0.000 1.365 262 N HN 0.344 nan 8.380 nan 0.000 0.499 263 R N 2.156 122.822 120.500 0.275 0.000 2.402 263 R HA 0.169 4.509 4.340 -0.000 0.000 0.331 263 R C -0.017 176.299 176.300 0.027 0.000 1.040 263 R CA -0.111 56.085 56.100 0.161 0.000 0.980 263 R CB -0.338 30.007 30.300 0.075 0.000 0.967 263 R HN 0.561 nan 8.270 nan 0.000 0.440 264 A N 1.662 124.486 122.820 0.007 0.000 2.346 264 A HA 0.645 4.965 4.320 -0.000 0.000 0.252 264 A C 0.645 178.206 177.584 -0.039 0.000 1.089 264 A CA 0.584 52.606 52.037 -0.025 0.000 0.797 264 A CB 0.416 19.395 19.000 -0.035 0.000 1.047 264 A HN 0.806 nan 8.150 nan 0.000 0.494 265 G N -0.920 107.858 108.800 -0.037 0.000 2.362 265 G HA2 0.476 4.436 3.960 -0.000 0.000 0.656 265 G HA3 0.476 4.436 3.960 -0.000 0.000 0.656 265 G C -0.233 174.648 174.900 -0.031 0.000 1.376 265 G CA -0.003 45.074 45.100 -0.039 0.000 0.971 265 G HN 1.966 nan 8.290 nan 0.000 0.636 266 T N -2.115 112.422 114.554 -0.028 0.000 2.813 266 T HA 0.570 4.920 4.350 -0.000 0.000 0.297 266 T C 0.555 175.243 174.700 -0.021 0.000 1.036 266 T CA -0.101 61.986 62.100 -0.022 0.000 1.044 266 T CB 1.480 70.337 68.868 -0.018 0.000 0.993 266 T HN 1.374 nan 8.240 nan 0.000 0.535 267 V N 2.515 122.420 119.914 -0.015 0.000 2.461 267 V HA 0.452 4.572 4.120 -0.000 0.000 0.275 267 V C 1.562 177.651 176.094 -0.009 0.000 1.047 267 V CA 0.240 62.532 62.300 -0.013 0.000 0.955 267 V CB 0.565 32.383 31.823 -0.007 0.000 0.988 267 V HN 1.192 nan 8.190 nan 0.000 0.471 268 G N 4.389 113.183 108.800 -0.010 0.000 2.425 268 G HA2 0.029 3.989 3.960 -0.000 0.000 0.213 268 G HA3 0.029 3.989 3.960 -0.000 0.000 0.213 268 G C 0.356 175.255 174.900 -0.001 0.000 1.201 268 G CA 0.200 45.296 45.100 -0.007 0.000 0.799 268 G HN 0.646 nan 8.290 nan 0.000 0.534 269 E N -0.400 119.801 120.200 0.002 0.000 2.288 269 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 269 E C -1.486 175.125 176.600 0.018 0.000 0.885 269 E CA -0.686 55.720 56.400 0.010 0.000 0.767 269 E CB 1.832 31.538 29.700 0.010 0.000 1.220 269 E HN 0.101 nan 8.360 nan 0.000 0.427 270 N N 0.323 119.040 118.700 0.028 0.000 2.479 270 N HA 0.200 4.940 4.740 -0.000 0.000 0.285 270 N C -1.073 174.475 175.510 0.064 0.000 1.075 270 N CA -0.435 52.640 53.050 0.042 0.000 0.967 270 N CB 1.196 39.711 38.487 0.048 0.000 1.137 270 N HN 0.118 nan 8.380 nan 0.000 0.472 271 V N 3.694 123.655 119.914 0.078 0.000 2.475 271 V HA 0.068 4.188 4.120 -0.000 0.000 0.292 271 V C -1.870 174.348 176.094 0.206 0.000 1.003 271 V CA -0.935 61.443 62.300 0.129 0.000 1.120 271 V CB -0.490 31.389 31.823 0.093 0.000 0.937 271 V HN 0.632 nan 8.190 nan 0.000 0.476 272 P HA 0.184 nan 4.420 nan 0.000 0.271 272 P C 0.116 177.496 177.300 0.134 0.000 1.216 272 P CA -0.358 62.816 63.100 0.123 0.000 0.771 272 P CB 0.489 32.233 31.700 0.072 0.000 0.864 273 D N 0.396 120.791 120.400 -0.007 0.000 2.392 273 D HA -0.138 4.502 4.640 -0.000 0.000 0.228 273 D C 0.404 176.462 176.300 -0.403 0.000 1.003 273 D CA 0.714 54.507 54.000 -0.345 0.000 0.917 273 D CB -0.611 40.044 40.800 -0.242 0.000 0.890 273 D HN 0.386 nan 8.370 nan 0.000 0.532 274 D N 0.015 120.311 120.400 -0.173 0.000 2.398 274 D HA 0.007 4.647 4.640 -0.000 0.000 0.210 274 D C 1.371 177.650 176.300 -0.035 0.000 1.094 274 D CA -0.142 53.795 54.000 -0.105 0.000 0.839 274 D CB 0.072 40.847 40.800 -0.042 0.000 0.963 274 D HN 0.299 nan 8.370 nan 0.000 0.506 275 L N -0.427 120.821 121.223 0.042 0.000 2.693 275 L HA 0.223 4.563 4.340 -0.000 0.000 0.235 275 L C 0.082 177.131 176.870 0.299 0.000 1.127 275 L CA -0.072 54.875 54.840 0.179 0.000 0.914 275 L CB -0.094 42.119 42.059 0.257 0.000 1.193 275 L HN 0.095 nan 8.230 nan 0.000 0.502 276 Y N -2.180 118.138 120.300 0.029 0.000 2.952 276 Y HA 0.623 5.173 4.550 -0.000 0.000 0.333 276 Y C -1.282 174.634 175.900 0.027 0.000 1.505 276 Y CA -1.715 56.404 58.100 0.032 0.000 1.102 276 Y CB 0.911 39.397 38.460 0.043 0.000 2.289 276 Y HN -0.256 nan 8.280 nan 0.000 0.401 277 I N 1.240 121.985 120.570 0.291 0.000 2.769 277 I HA 0.364 4.534 4.170 -0.000 0.000 0.298 277 I C -0.840 175.435 176.117 0.265 0.000 1.128 277 I CA -1.513 59.831 61.300 0.074 0.000 1.031 277 I CB 2.112 40.156 38.000 0.073 0.000 1.235 277 I HN 0.448 nan 8.210 nan 0.000 0.423 278 K N 2.220 122.687 120.400 0.113 0.000 2.457 278 K HA 0.163 4.483 4.320 -0.000 0.000 0.269 278 K C 0.406 177.086 176.600 0.134 0.000 0.969 278 K CA 0.245 56.629 56.287 0.163 0.000 0.921 278 K CB 0.647 33.186 32.500 0.065 0.000 0.940 278 K HN 0.947 nan 8.250 nan 0.000 0.517 279 G N -0.234 108.620 108.800 0.091 0.000 3.286 279 G HA2 0.350 4.310 3.960 -0.000 0.000 0.166 279 G HA3 0.350 4.310 3.960 -0.000 0.000 0.166 279 G C -0.958 173.942 174.900 -0.001 0.000 1.155 279 G CA -0.239 44.884 45.100 0.037 0.000 0.871 279 G HN 0.544 nan 8.290 nan 0.000 0.637 280 S N -1.111 114.571 115.700 -0.031 0.000 2.677 280 S HA 0.568 5.038 4.470 -0.000 0.000 0.283 280 S C 0.732 175.292 174.600 -0.067 0.000 1.159 280 S CA 0.768 58.948 58.200 -0.033 0.000 1.001 280 S CB 1.046 64.237 63.200 -0.016 0.000 1.032 280 S HN 2.472 nan 8.310 nan 0.000 0.487 281 G N 4.712 113.474 108.800 -0.063 0.000 2.690 281 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.334 281 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.334 281 G C 1.365 176.186 174.900 -0.132 0.000 1.250 281 G CA 2.137 47.193 45.100 -0.073 0.000 0.994 281 G HN 2.150 nan 8.290 nan 0.000 0.549 282 S N -0.355 115.259 115.700 -0.143 0.000 2.422 282 S HA -0.317 4.153 4.470 -0.000 0.000 0.248 282 S C 2.406 176.709 174.600 -0.496 0.000 1.069 282 S CA 4.216 62.273 58.200 -0.239 0.000 1.214 282 S CB -1.820 61.301 63.200 -0.133 0.000 1.122 282 S HN 2.341 nan 8.310 nan 0.000 0.432 283 T N -0.797 113.527 114.554 -0.384 0.000 3.228 283 T HA 0.457 4.807 4.350 -0.000 0.000 0.261 283 T C 1.086 175.614 174.700 -0.287 0.000 1.171 283 T CA 0.615 62.454 62.100 -0.434 0.000 1.056 283 T CB -0.379 68.426 68.868 -0.106 0.000 0.938 283 T HN 0.683 nan 8.240 nan 0.000 0.539 284 A N 0.515 123.194 122.820 -0.236 0.000 2.470 284 A HA 0.454 4.774 4.320 -0.000 0.000 0.251 284 A C 0.600 178.125 177.584 -0.098 0.000 1.245 284 A CA -0.590 51.385 52.037 -0.105 0.000 0.932 284 A CB 0.061 19.029 19.000 -0.053 0.000 1.037 284 A HN 0.405 nan 8.150 nan 0.000 0.522 285 N N 0.420 119.007 118.700 -0.188 0.000 2.569 285 N HA 0.460 5.200 4.740 -0.000 0.000 0.254 285 N C -1.119 174.330 175.510 -0.101 0.000 1.004 285 N CA -0.379 52.597 53.050 -0.124 0.000 0.904 285 N CB 0.578 39.005 38.487 -0.100 0.000 1.165 285 N HN 0.119 nan 8.380 nan 0.000 0.513 286 L N 1.844 123.051 121.223 -0.028 0.000 2.514 286 L HA 0.283 4.623 4.340 -0.000 0.000 0.280 286 L C 0.744 177.664 176.870 0.084 0.000 1.223 286 L CA 0.454 55.312 54.840 0.029 0.000 0.864 286 L CB 0.305 42.332 42.059 -0.054 0.000 1.118 286 L HN 0.576 nan 8.230 nan 0.000 0.494 287 A N 2.626 125.554 122.820 0.180 0.000 2.256 287 A HA 0.539 4.859 4.320 -0.000 0.000 0.318 287 A C 0.082 177.652 177.584 -0.024 0.000 1.103 287 A CA -0.396 51.708 52.037 0.112 0.000 0.860 287 A CB 0.721 19.808 19.000 0.145 0.000 1.182 287 A HN 0.656 nan 8.150 nan 0.000 0.501 288 S N 0.120 115.784 115.700 -0.061 0.000 2.629 288 S HA 0.021 4.491 4.470 -0.000 0.000 0.302 288 S C 1.155 175.604 174.600 -0.252 0.000 1.244 288 S CA 0.502 58.630 58.200 -0.122 0.000 1.098 288 S CB 0.093 63.231 63.200 -0.104 0.000 0.858 288 S HN 0.896 nan 8.310 nan 0.000 0.502 289 S N 4.047 119.606 115.700 -0.235 0.000 2.603 289 S HA 0.119 4.589 4.470 -0.000 0.000 0.220 289 S C 0.547 174.838 174.600 -0.515 0.000 0.967 289 S CA -0.148 57.830 58.200 -0.370 0.000 0.920 289 S CB -0.521 62.599 63.200 -0.134 0.000 0.773 289 S HN 0.848 nan 8.310 nan 0.000 0.529 290 N N 2.082 120.599 118.700 -0.305 0.000 2.508 290 N HA 0.136 4.876 4.740 -0.000 0.000 0.253 290 N C -1.264 174.207 175.510 -0.066 0.000 1.145 290 N CA -0.073 52.916 53.050 -0.100 0.000 0.973 290 N CB 0.315 38.787 38.487 -0.025 0.000 1.305 290 N HN 0.324 nan 8.380 nan 0.000 0.506 291 Y N 1.823 122.186 120.300 0.105 0.000 2.392 291 Y HA 0.487 5.037 4.550 -0.000 0.000 0.323 291 Y C 0.301 176.342 175.900 0.236 0.000 1.291 291 Y CA -0.952 57.216 58.100 0.115 0.000 1.345 291 Y CB 0.520 38.999 38.460 0.032 0.000 1.320 291 Y HN 0.296 nan 8.280 nan 0.000 0.518 292 F N -0.673 119.436 119.950 0.266 0.000 2.668 292 F HA 0.922 5.449 4.527 -0.000 0.000 0.309 292 F C -3.605 172.333 175.800 0.230 0.000 1.117 292 F CA -2.640 55.504 58.000 0.241 0.000 0.951 292 F CB 2.013 41.136 39.000 0.205 0.000 1.323 292 F HN 0.202 nan 8.300 nan 0.000 0.451 293 P HA 0.379 nan 4.420 nan 0.000 0.318 293 P C -1.594 175.786 177.300 0.133 0.000 1.443 293 P CA -0.522 62.569 63.100 -0.015 0.000 1.190 293 P CB 2.647 34.334 31.700 -0.021 0.000 1.641 294 T N -0.215 114.308 114.554 -0.052 0.000 2.845 294 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 294 T C -2.306 172.281 174.700 -0.189 0.000 0.980 294 T CA -2.127 59.982 62.100 0.015 0.000 1.071 294 T CB 0.716 69.611 68.868 0.043 0.000 0.941 294 T HN 0.248 nan 8.240 nan 0.000 0.487 295 P HA 0.485 nan 4.420 nan 0.000 0.284 295 P C -0.722 176.371 177.300 -0.345 0.000 1.292 295 P CA -0.800 62.107 63.100 -0.321 0.000 0.800 295 P CB 0.995 32.519 31.700 -0.293 0.000 1.188 296 S N -0.817 114.638 115.700 -0.409 0.000 2.382 296 S HA 0.454 4.924 4.470 -0.000 0.000 0.228 296 S C -0.298 174.227 174.600 -0.125 0.000 0.996 296 S CA -0.664 57.316 58.200 -0.367 0.000 1.094 296 S CB -0.825 61.953 63.200 -0.704 0.000 1.209 296 S HN 0.631 nan 8.310 nan 0.000 0.420 297 G N 3.157 111.954 108.800 -0.005 0.000 2.346 297 G HA2 0.382 4.342 3.960 -0.000 0.000 0.275 297 G HA3 0.382 4.342 3.960 -0.000 0.000 0.275 297 G C 0.478 175.438 174.900 0.100 0.000 1.190 297 G CA 0.280 45.423 45.100 0.072 0.000 1.015 297 G HN 0.879 nan 8.290 nan 0.000 0.441 298 S N 3.162 118.966 115.700 0.173 0.000 2.625 298 S HA 0.223 4.693 4.470 -0.000 0.000 0.258 298 S C 1.227 175.886 174.600 0.099 0.000 1.256 298 S CA -0.684 57.626 58.200 0.184 0.000 0.983 298 S CB 0.204 63.522 63.200 0.196 0.000 1.032 298 S HN 0.745 nan 8.310 nan 0.000 0.572 299 M N 2.832 122.478 119.600 0.077 0.000 2.472 299 M HA -0.047 4.433 4.480 -0.000 0.000 0.497 299 M C -0.435 175.889 176.300 0.040 0.000 1.560 299 M CA -0.054 55.274 55.300 0.046 0.000 0.894 299 M CB -0.786 31.831 32.600 0.029 0.000 1.983 299 M HN 0.489 nan 8.290 nan 0.000 0.521 300 V N 3.298 123.235 119.914 0.039 0.000 2.614 300 V HA 0.595 4.715 4.120 -0.000 0.000 0.291 300 V C 0.171 176.283 176.094 0.030 0.000 1.049 300 V CA -0.416 61.908 62.300 0.039 0.000 1.038 300 V CB 1.329 33.177 31.823 0.042 0.000 0.980 300 V HN 0.831 nan 8.190 nan 0.000 0.481 301 T N 2.263 116.834 114.554 0.028 0.000 2.886 301 T HA 0.369 4.719 4.350 -0.000 0.000 0.292 301 T C 0.943 175.653 174.700 0.018 0.000 1.012 301 T CA 0.367 62.478 62.100 0.019 0.000 0.982 301 T CB 1.890 70.765 68.868 0.011 0.000 1.018 301 T HN 0.936 nan 8.240 nan 0.000 0.451 302 S N 2.875 118.584 115.700 0.014 0.000 2.369 302 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 302 S C 1.096 175.699 174.600 0.005 0.000 1.043 302 S CA 2.228 60.435 58.200 0.012 0.000 1.074 302 S CB -0.623 62.581 63.200 0.007 0.000 0.962 302 S HN 0.883 nan 8.310 nan 0.000 0.433 303 D N 0.861 121.261 120.400 0.001 0.000 2.408 303 D HA 0.162 4.802 4.640 -0.000 0.000 0.248 303 D C 0.434 176.729 176.300 -0.009 0.000 1.122 303 D CA 0.728 54.725 54.000 -0.006 0.000 0.964 303 D CB -0.157 40.639 40.800 -0.006 0.000 0.884 303 D HN 0.350 nan 8.370 nan 0.000 0.524 304 A N 0.055 122.871 122.820 -0.006 0.000 2.573 304 A HA 0.087 4.407 4.320 -0.000 0.000 0.269 304 A C 0.185 177.752 177.584 -0.028 0.000 0.901 304 A CA -0.498 51.529 52.037 -0.017 0.000 1.066 304 A CB 0.395 19.389 19.000 -0.010 0.000 1.221 304 A HN -0.091 nan 8.150 nan 0.000 0.483 305 Q N 0.682 120.467 119.800 -0.024 0.000 2.288 305 Q HA 0.234 4.574 4.340 -0.000 0.000 0.258 305 Q C 0.784 176.710 176.000 -0.124 0.000 0.957 305 Q CA -0.336 55.448 55.803 -0.030 0.000 0.919 305 Q CB 1.141 29.894 28.738 0.025 0.000 1.185 305 Q HN 0.436 nan 8.270 nan 0.000 0.408 306 I N 1.729 122.109 120.570 -0.317 0.000 3.111 306 I HA -0.012 4.158 4.170 -0.000 0.000 0.272 306 I C 0.586 176.378 176.117 -0.542 0.000 1.268 306 I CA 0.783 61.764 61.300 -0.531 0.000 1.467 306 I CB -0.528 36.872 38.000 -1.001 0.000 1.087 306 I HN 0.349 nan 8.210 nan 0.000 0.467 307 F N 0.067 120.063 119.950 0.076 0.000 2.575 307 F HA 0.420 4.947 4.527 -0.000 0.000 0.330 307 F C 1.282 177.041 175.800 -0.068 0.000 1.056 307 F CA -0.777 57.242 58.000 0.033 0.000 0.964 307 F CB 0.719 39.731 39.000 0.020 0.000 1.258 307 F HN -0.195 nan 8.300 nan 0.000 0.484 308 N N -0.140 118.590 118.700 0.050 0.000 2.994 308 N HA -0.220 4.520 4.740 -0.000 0.000 0.221 308 N C -0.572 174.842 175.510 -0.160 0.000 0.900 308 N CA 0.710 53.721 53.050 -0.065 0.000 1.008 308 N CB -0.661 37.816 38.487 -0.016 0.000 1.053 308 N HN 0.617 nan 8.380 nan 0.000 0.580 309 K N 0.855 121.114 120.400 -0.234 0.000 2.164 309 K HA 0.487 4.807 4.320 -0.000 0.000 0.258 309 K C -2.743 173.426 176.600 -0.719 0.000 0.951 309 K CA -1.956 54.138 56.287 -0.322 0.000 0.844 309 K CB 1.707 34.117 32.500 -0.149 0.000 1.099 309 K HN -0.116 nan 8.250 nan 0.000 0.435 310 P HA 0.152 nan 4.420 nan 0.000 0.296 310 P C -1.480 175.113 177.300 -1.178 0.000 1.306 310 P CA -0.354 62.104 63.100 -1.070 0.000 0.818 310 P CB 0.428 31.537 31.700 -0.985 0.000 0.969 311 Y N 1.619 121.441 120.300 -0.797 0.000 2.404 311 Y HA 0.268 4.818 4.550 -0.000 0.000 0.344 311 Y C 0.303 175.676 175.900 -0.878 0.000 0.970 311 Y CA -0.891 56.719 58.100 -0.816 0.000 1.180 311 Y CB 0.495 38.429 38.460 -0.877 0.000 1.138 311 Y HN 0.308 nan 8.280 nan 0.000 0.510 312 W N 5.259 126.426 121.300 -0.223 0.000 2.358 312 W HA 0.395 5.055 4.660 -0.000 0.000 0.307 312 W C -0.188 176.179 176.519 -0.253 0.000 1.203 312 W CA -0.816 56.406 57.345 -0.205 0.000 1.279 312 W CB 0.676 30.078 29.460 -0.097 0.000 1.264 312 W HN 0.504 nan 8.180 nan 0.000 0.474 313 L N 4.522 125.742 121.223 -0.005 0.000 2.851 313 L HA 0.064 4.404 4.340 -0.000 0.000 0.237 313 L C 2.092 178.918 176.870 -0.072 0.000 1.257 313 L CA -0.166 54.602 54.840 -0.120 0.000 1.061 313 L CB -0.722 41.192 42.059 -0.240 0.000 1.372 313 L HN 0.596 nan 8.230 nan 0.000 0.493 314 Q N 0.408 120.209 119.800 0.002 0.000 2.112 314 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 314 Q C 1.018 177.009 176.000 -0.016 0.000 0.987 314 Q CA 1.256 57.059 55.803 -0.000 0.000 0.858 314 Q CB -0.038 28.703 28.738 0.005 0.000 0.905 314 Q HN 0.516 nan 8.270 nan 0.000 0.420 315 R N -0.562 119.935 120.500 -0.005 0.000 2.930 315 R HA 0.778 5.118 4.340 -0.000 0.000 0.257 315 R C -1.742 174.571 176.300 0.022 0.000 1.107 315 R CA -0.077 56.024 56.100 0.002 0.000 0.999 315 R CB 2.418 32.725 30.300 0.011 0.000 1.209 315 R HN 0.260 nan 8.270 nan 0.000 0.486 316 A N 0.888 123.732 122.820 0.041 0.000 2.573 316 A HA 0.128 4.448 4.320 -0.000 0.000 0.312 316 A C -0.729 176.912 177.584 0.096 0.000 1.041 316 A CA -0.788 51.311 52.037 0.103 0.000 0.880 316 A CB 1.129 20.205 19.000 0.127 0.000 1.249 316 A HN 0.740 nan 8.150 nan 0.000 0.385 317 Q N 1.074 120.941 119.800 0.112 0.000 2.500 317 Q HA 0.248 4.588 4.340 -0.000 0.000 0.213 317 Q C 0.923 176.966 176.000 0.071 0.000 0.974 317 Q CA 1.294 57.140 55.803 0.072 0.000 0.918 317 Q CB -0.263 28.521 28.738 0.077 0.000 0.980 317 Q HN 1.148 nan 8.270 nan 0.000 0.505 318 G N -1.189 107.698 108.800 0.145 0.000 2.502 318 G HA2 0.316 4.276 3.960 -0.000 0.000 0.305 318 G HA3 0.316 4.276 3.960 -0.000 0.000 0.305 318 G C -0.661 174.342 174.900 0.172 0.000 1.190 318 G CA -0.555 44.673 45.100 0.214 0.000 0.933 318 G HN 0.183 nan 8.290 nan 0.000 0.503 319 H N -0.449 118.751 119.070 0.216 0.000 2.317 319 H HA 0.019 4.575 4.556 -0.000 0.000 0.304 319 H C 1.622 177.103 175.328 0.256 0.000 1.067 319 H CA 1.030 57.211 56.048 0.220 0.000 1.352 319 H CB 0.136 30.046 29.762 0.246 0.000 1.398 319 H HN 0.439 nan 8.280 nan 0.000 0.510 320 N N 1.001 119.989 118.700 0.480 0.000 2.416 320 N HA -0.118 4.622 4.740 -0.000 0.000 0.246 320 N C 0.017 175.670 175.510 0.239 0.000 1.260 320 N CA 0.450 53.751 53.050 0.418 0.000 0.897 320 N CB 0.564 39.376 38.487 0.542 0.000 1.110 320 N HN 0.335 nan 8.380 nan 0.000 0.439 321 N N 0.563 119.293 118.700 0.051 0.000 2.305 321 N HA 0.264 5.004 4.740 -0.000 0.000 0.248 321 N C -0.019 175.283 175.510 -0.346 0.000 1.290 321 N CA 0.316 53.306 53.050 -0.101 0.000 0.873 321 N CB 0.229 38.682 38.487 -0.056 0.000 1.261 321 N HN 0.701 nan 8.380 nan 0.000 0.504 322 G N 0.063 108.610 108.800 -0.420 0.000 2.507 322 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.205 322 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.205 322 G C -0.633 174.130 174.900 -0.228 0.000 0.996 322 G CA -0.448 44.379 45.100 -0.454 0.000 0.776 322 G HN 0.116 nan 8.290 nan 0.000 0.532 323 I N 2.449 122.837 120.570 -0.302 0.000 2.372 323 I HA 0.207 4.377 4.170 -0.000 0.000 0.298 323 I C 1.021 176.810 176.117 -0.546 0.000 1.137 323 I CA -1.317 59.623 61.300 -0.601 0.000 1.314 323 I CB -0.482 36.676 38.000 -1.404 0.000 1.444 323 I HN 0.173 nan 8.210 nan 0.000 0.541 324 C N 6.261 125.435 119.300 -0.210 0.000 3.183 324 C HA 0.082 4.542 4.460 -0.000 0.000 0.545 324 C C 0.724 175.700 174.990 -0.023 0.000 1.044 324 C CA -1.169 57.823 59.018 -0.044 0.000 1.117 324 C CB -2.340 25.444 27.740 0.072 0.000 1.393 324 C HN 0.605 nan 8.230 nan 0.000 0.611 325 W N 0.751 122.082 121.300 0.052 0.000 2.295 325 W HA 0.367 5.027 4.660 -0.000 0.000 0.335 325 W C 1.388 177.845 176.519 -0.102 0.000 1.351 325 W CA 1.145 58.463 57.345 -0.045 0.000 1.273 325 W CB 0.230 29.651 29.460 -0.065 0.000 1.214 325 W HN 0.899 nan 8.180 nan 0.000 0.563 326 G N 2.316 111.187 108.800 0.118 0.000 2.205 326 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.261 326 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.261 326 G C 0.566 175.467 174.900 0.001 0.000 0.980 326 G CA 0.243 45.346 45.100 0.006 0.000 0.632 326 G HN 0.758 nan 8.290 nan 0.000 0.533 327 N N -0.905 117.806 118.700 0.018 0.000 2.850 327 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 327 N C 0.245 175.678 175.510 -0.129 0.000 1.060 327 N CA 1.876 54.902 53.050 -0.041 0.000 0.825 327 N CB -1.158 37.312 38.487 -0.028 0.000 1.132 327 N HN 0.854 nan 8.380 nan 0.000 0.564 328 Q N 0.264 119.979 119.800 -0.142 0.000 2.245 328 Q HA 0.701 5.041 4.340 -0.000 0.000 0.256 328 Q C -0.259 175.556 176.000 -0.309 0.000 0.942 328 Q CA -0.239 55.379 55.803 -0.308 0.000 0.896 328 Q CB 2.300 30.775 28.738 -0.438 0.000 1.272 328 Q HN 0.244 nan 8.270 nan 0.000 0.442 329 L N 3.195 124.191 121.223 -0.380 0.000 2.470 329 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 329 L C -1.673 175.110 176.870 -0.144 0.000 0.964 329 L CA -0.503 54.254 54.840 -0.138 0.000 0.839 329 L CB 1.220 43.249 42.059 -0.050 0.000 1.276 329 L HN 0.710 nan 8.230 nan 0.000 0.403 330 F N 4.858 124.797 119.950 -0.019 0.000 2.308 330 F HA 0.341 4.868 4.527 -0.000 0.000 0.370 330 F C 0.071 175.888 175.800 0.030 0.000 1.100 330 F CA -0.977 56.978 58.000 -0.076 0.000 1.108 330 F CB 1.764 40.640 39.000 -0.208 0.000 1.293 330 F HN 0.098 nan 8.300 nan 0.000 0.478 331 V N 3.459 123.567 119.914 0.324 0.000 2.364 331 V HA 0.212 4.332 4.120 -0.000 0.000 0.272 331 V C 0.063 176.306 176.094 0.249 0.000 1.036 331 V CA -0.336 62.115 62.300 0.251 0.000 0.880 331 V CB 1.331 33.266 31.823 0.187 0.000 0.991 331 V HN 0.631 nan 8.190 nan 0.000 0.460 332 T N 4.891 119.559 114.554 0.191 0.000 2.795 332 T HA 0.666 5.016 4.350 -0.000 0.000 0.282 332 T C -0.272 174.577 174.700 0.248 0.000 0.980 332 T CA -0.440 61.785 62.100 0.208 0.000 1.012 332 T CB 1.731 70.682 68.868 0.139 0.000 0.936 332 T HN 0.314 nan 8.240 nan 0.000 0.457 333 V N 3.104 123.181 119.914 0.271 0.000 2.823 333 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 333 V C -0.693 175.493 176.094 0.154 0.000 1.072 333 V CA -0.747 61.697 62.300 0.241 0.000 0.937 333 V CB 2.471 34.415 31.823 0.202 0.000 1.013 333 V HN 0.719 nan 8.190 nan 0.000 0.430 334 V N 2.659 122.645 119.914 0.121 0.000 2.525 334 V HA 0.536 4.656 4.120 -0.000 0.000 0.299 334 V C -1.330 174.811 176.094 0.079 0.000 1.034 334 V CA -0.424 61.865 62.300 -0.019 0.000 0.863 334 V CB 1.984 33.677 31.823 -0.218 0.000 0.999 334 V HN 0.971 nan 8.190 nan 0.000 0.423 335 D N 2.314 122.728 120.400 0.025 0.000 2.629 335 D HA 0.508 5.148 4.640 -0.000 0.000 0.250 335 D C 0.668 177.009 176.300 0.069 0.000 1.126 335 D CA 0.118 54.147 54.000 0.048 0.000 0.852 335 D CB 2.500 43.190 40.800 -0.182 0.000 1.335 335 D HN 0.602 nan 8.370 nan 0.000 0.518 336 T N -0.922 113.696 114.554 0.107 0.000 2.985 336 T HA 0.002 4.352 4.350 -0.000 0.000 0.254 336 T C 1.425 176.175 174.700 0.083 0.000 1.021 336 T CA 0.740 62.896 62.100 0.092 0.000 0.957 336 T CB -0.193 68.734 68.868 0.097 0.000 1.047 336 T HN 0.337 nan 8.240 nan 0.000 0.511 337 T N 1.326 115.934 114.554 0.090 0.000 3.077 337 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 337 T C 0.968 175.700 174.700 0.054 0.000 1.146 337 T CA 0.267 62.412 62.100 0.074 0.000 1.091 337 T CB -0.477 68.446 68.868 0.092 0.000 0.892 337 T HN 0.555 nan 8.240 nan 0.000 0.533 338 R N 1.052 121.583 120.500 0.053 0.000 2.653 338 R HA 0.383 4.723 4.340 -0.000 0.000 0.269 338 R C 0.751 177.129 176.300 0.129 0.000 1.603 338 R CA -0.006 56.127 56.100 0.055 0.000 1.671 338 R CB 0.587 30.894 30.300 0.012 0.000 1.300 338 R HN 0.353 nan 8.270 nan 0.000 0.668 339 S N -1.239 114.514 115.700 0.089 0.000 2.503 339 S HA -0.030 4.440 4.470 -0.000 0.000 0.215 339 S C 0.859 175.291 174.600 -0.280 0.000 1.003 339 S CA -0.179 58.036 58.200 0.024 0.000 0.910 339 S CB 0.122 63.322 63.200 0.001 0.000 0.790 339 S HN 0.277 nan 8.310 nan 0.000 0.514 340 T N 4.748 119.225 114.554 -0.128 0.000 2.341 340 T HA -0.044 4.306 4.350 -0.000 0.000 0.216 340 T C -0.307 174.224 174.700 -0.283 0.000 1.109 340 T CA 0.538 62.549 62.100 -0.149 0.000 1.555 340 T CB -1.170 67.674 68.868 -0.040 0.000 1.075 340 T HN 0.693 nan 8.240 nan 0.000 0.466 341 N N 3.560 122.052 118.700 -0.347 0.000 2.426 341 N HA 0.505 5.245 4.740 -0.000 0.000 0.275 341 N C 0.075 175.513 175.510 -0.120 0.000 1.019 341 N CA -0.958 51.903 53.050 -0.314 0.000 0.941 341 N CB 0.839 39.084 38.487 -0.404 0.000 1.123 341 N HN 0.624 nan 8.380 nan 0.000 0.486 342 M N -0.444 119.130 119.600 -0.043 0.000 2.367 342 M HA 0.572 5.052 4.480 -0.000 0.000 0.339 342 M C -0.816 175.490 176.300 0.011 0.000 1.177 342 M CA -0.641 54.656 55.300 -0.005 0.000 1.068 342 M CB 1.363 33.974 32.600 0.019 0.000 1.602 342 M HN 0.487 nan 8.290 nan 0.000 0.457 343 S N 4.328 120.045 115.700 0.028 0.000 2.501 343 S HA 0.868 5.338 4.470 -0.000 0.000 0.301 343 S C -0.445 174.206 174.600 0.086 0.000 1.096 343 S CA -1.054 57.182 58.200 0.060 0.000 1.063 343 S CB 1.524 64.757 63.200 0.055 0.000 1.042 343 S HN 0.806 nan 8.310 nan 0.000 0.494 344 L N -0.113 121.194 121.223 0.140 0.000 2.354 344 L HA 0.948 5.288 4.340 -0.000 0.000 0.264 344 L C -0.676 176.353 176.870 0.266 0.000 1.008 344 L CA -1.082 53.854 54.840 0.159 0.000 0.819 344 L CB 1.478 43.608 42.059 0.120 0.000 1.339 344 L HN 0.985 nan 8.230 nan 0.000 0.420 345 C N 0.641 120.080 119.300 0.232 0.000 2.608 345 C HA 0.945 5.405 4.460 -0.000 0.000 0.325 345 C C 0.042 175.211 174.990 0.299 0.000 1.147 345 C CA -0.196 59.001 59.018 0.297 0.000 1.359 345 C CB 0.759 28.638 27.740 0.232 0.000 1.912 345 C HN 1.175 nan 8.230 nan 0.000 0.466 346 A N 3.247 126.260 122.820 0.321 0.000 2.324 346 A HA 0.913 5.233 4.320 -0.000 0.000 0.330 346 A C 0.311 177.980 177.584 0.143 0.000 1.165 346 A CA 0.139 52.308 52.037 0.221 0.000 0.813 346 A CB 0.958 20.057 19.000 0.165 0.000 1.197 346 A HN 2.322 nan 8.150 nan 0.000 0.484 347 A N 1.153 123.989 122.820 0.027 0.000 2.322 347 A HA 0.516 4.836 4.320 -0.000 0.000 0.269 347 A C 0.786 178.247 177.584 -0.206 0.000 1.094 347 A CA -0.270 51.583 52.037 -0.307 0.000 0.807 347 A CB 0.074 18.832 19.000 -0.404 0.000 1.047 347 A HN 1.202 nan 8.150 nan 0.000 0.487 348 I N 0.755 121.147 120.570 -0.295 0.000 2.876 348 I HA 0.065 4.235 4.170 -0.000 0.000 0.264 348 I C 0.710 176.737 176.117 -0.150 0.000 1.204 348 I CA 1.649 62.846 61.300 -0.172 0.000 1.485 348 I CB -0.005 37.894 38.000 -0.168 0.000 1.103 348 I HN 0.782 nan 8.210 nan 0.000 0.446 349 S N -2.369 113.213 115.700 -0.197 0.000 2.578 349 S HA 0.174 4.644 4.470 -0.000 0.000 0.285 349 S C 0.361 174.879 174.600 -0.136 0.000 1.126 349 S CA -0.102 58.021 58.200 -0.128 0.000 0.878 349 S CB 0.265 63.408 63.200 -0.095 0.000 1.091 349 S HN 0.155 nan 8.310 nan 0.000 0.450 350 T N 0.209 114.718 114.554 -0.075 0.000 3.148 350 T HA 0.131 4.481 4.350 -0.000 0.000 0.253 350 T C 1.663 176.350 174.700 -0.022 0.000 1.134 350 T CA 0.768 62.846 62.100 -0.038 0.000 1.051 350 T CB -0.509 68.353 68.868 -0.011 0.000 0.959 350 T HN 0.562 nan 8.240 nan 0.000 0.525 351 S N 1.730 117.409 115.700 -0.036 0.000 2.392 351 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 351 S C 0.860 175.454 174.600 -0.009 0.000 1.041 351 S CA 1.097 59.284 58.200 -0.022 0.000 1.100 351 S CB -0.457 62.724 63.200 -0.031 0.000 1.029 351 S HN 0.588 nan 8.310 nan 0.000 0.424 352 E N 0.964 121.152 120.200 -0.020 0.000 2.508 352 E HA 0.015 4.365 4.350 -0.000 0.000 0.266 352 E C 0.963 177.585 176.600 0.037 0.000 1.010 352 E CA 0.857 57.261 56.400 0.006 0.000 0.955 352 E CB 0.294 29.993 29.700 -0.001 0.000 0.946 352 E HN 0.503 nan 8.360 nan 0.000 0.454 353 T N -2.384 112.195 114.554 0.042 0.000 3.044 353 T HA 0.131 4.481 4.350 -0.000 0.000 0.260 353 T C 0.282 175.023 174.700 0.069 0.000 1.019 353 T CA -0.116 62.016 62.100 0.053 0.000 0.921 353 T CB -0.024 68.867 68.868 0.040 0.000 1.053 353 T HN 0.468 nan 8.240 nan 0.000 0.533 354 T N -0.388 114.211 114.554 0.076 0.000 2.863 354 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 354 T C -0.702 174.083 174.700 0.142 0.000 1.009 354 T CA -0.972 61.191 62.100 0.105 0.000 0.989 354 T CB 1.576 70.495 68.868 0.084 0.000 1.004 354 T HN 0.211 nan 8.240 nan 0.000 0.455 355 Y N 2.012 122.359 120.300 0.079 0.000 2.597 355 Y HA 0.338 4.888 4.550 -0.000 0.000 0.336 355 Y C 0.235 176.208 175.900 0.121 0.000 1.216 355 Y CA 0.404 58.568 58.100 0.107 0.000 1.463 355 Y CB 0.470 38.938 38.460 0.013 0.000 1.303 355 Y HN 0.635 nan 8.280 nan 0.000 0.576 356 K N 5.594 125.773 120.400 -0.368 0.000 2.637 356 K HA 0.075 4.395 4.320 -0.000 0.000 0.248 356 K C 0.165 176.614 176.600 -0.252 0.000 0.971 356 K CA -0.719 55.476 56.287 -0.153 0.000 0.858 356 K CB 1.399 33.853 32.500 -0.077 0.000 1.170 356 K HN 0.728 nan 8.250 nan 0.000 0.443 357 N N 0.838 119.506 118.700 -0.052 0.000 2.122 357 N HA -0.201 4.539 4.740 -0.000 0.000 0.199 357 N C 1.102 176.629 175.510 0.029 0.000 1.007 357 N CA 2.389 55.480 53.050 0.067 0.000 0.892 357 N CB 0.005 38.576 38.487 0.141 0.000 1.050 357 N HN 0.655 nan 8.380 nan 0.000 0.468 358 T N -3.020 111.530 114.554 -0.007 0.000 3.235 358 T HA 0.147 4.497 4.350 -0.000 0.000 0.251 358 T C 0.901 175.558 174.700 -0.073 0.000 1.060 358 T CA -0.005 62.082 62.100 -0.022 0.000 0.949 358 T CB -0.217 68.639 68.868 -0.020 0.000 1.020 358 T HN 0.166 nan 8.240 nan 0.000 0.564 359 N N 0.213 118.848 118.700 -0.110 0.000 2.205 359 N HA 0.230 4.970 4.740 -0.000 0.000 0.201 359 N C -0.910 174.199 175.510 -0.668 0.000 1.128 359 N CA -0.536 52.320 53.050 -0.323 0.000 0.867 359 N CB 0.209 38.491 38.487 -0.343 0.000 0.996 359 N HN 0.359 nan 8.380 nan 0.000 0.503 360 F N 0.471 120.362 119.950 -0.098 0.000 2.565 360 F HA 0.475 5.002 4.527 -0.000 0.000 0.313 360 F C 0.041 175.822 175.800 -0.033 0.000 1.091 360 F CA -0.975 56.999 58.000 -0.043 0.000 0.915 360 F CB 1.766 40.744 39.000 -0.037 0.000 1.208 360 F HN -0.361 nan 8.300 nan 0.000 0.453 361 K N 2.499 122.954 120.400 0.092 0.000 2.156 361 K HA 0.371 4.691 4.320 -0.000 0.000 0.271 361 K C -0.683 175.846 176.600 -0.118 0.000 0.995 361 K CA -0.776 55.489 56.287 -0.037 0.000 0.890 361 K CB 1.403 33.869 32.500 -0.056 0.000 1.073 361 K HN 0.506 nan 8.250 nan 0.000 0.454 362 E N 2.696 122.736 120.200 -0.268 0.000 2.158 362 E HA 0.256 4.606 4.350 -0.000 0.000 0.271 362 E C -1.021 175.358 176.600 -0.368 0.000 0.911 362 E CA -0.504 55.803 56.400 -0.155 0.000 0.767 362 E CB 1.304 30.991 29.700 -0.021 0.000 1.120 362 E HN 0.392 nan 8.360 nan 0.000 0.405 363 Y N 0.972 121.329 120.300 0.094 0.000 2.549 363 Y HA 0.490 5.040 4.550 -0.000 0.000 0.339 363 Y C 0.163 176.107 175.900 0.072 0.000 1.053 363 Y CA -0.908 57.255 58.100 0.106 0.000 1.105 363 Y CB 1.683 40.200 38.460 0.094 0.000 1.258 363 Y HN 0.262 nan 8.280 nan 0.000 0.478 364 L N 3.554 124.908 121.223 0.219 0.000 2.341 364 L HA 0.648 4.988 4.340 -0.000 0.000 0.278 364 L C -0.646 176.158 176.870 -0.111 0.000 1.005 364 L CA -0.812 54.026 54.840 -0.003 0.000 0.818 364 L CB 1.229 43.194 42.059 -0.157 0.000 1.259 364 L HN 0.558 nan 8.230 nan 0.000 0.418 365 R N 1.611 122.081 120.500 -0.051 0.000 2.808 365 R HA 0.548 4.888 4.340 -0.000 0.000 0.272 365 R C -1.442 174.879 176.300 0.035 0.000 0.995 365 R CA -0.906 55.183 56.100 -0.018 0.000 0.917 365 R CB 2.213 32.531 30.300 0.030 0.000 1.217 365 R HN 0.670 nan 8.270 nan 0.000 0.471 366 H N -0.746 118.283 119.070 -0.069 0.000 2.954 366 H HA 0.590 5.146 4.556 -0.000 0.000 0.361 366 H C -1.001 174.313 175.328 -0.023 0.000 1.122 366 H CA -0.690 55.324 56.048 -0.058 0.000 1.217 366 H CB 2.260 31.968 29.762 -0.089 0.000 1.776 366 H HN 0.768 nan 8.280 nan 0.000 0.533 367 G N 2.160 110.938 108.800 -0.037 0.000 2.630 367 G HA2 0.441 4.401 3.960 -0.000 0.000 0.296 367 G HA3 0.441 4.401 3.960 -0.000 0.000 0.296 367 G C -1.323 173.401 174.900 -0.293 0.000 1.285 367 G CA -0.576 44.423 45.100 -0.168 0.000 0.958 367 G HN 0.545 nan 8.290 nan 0.000 0.479 368 E N 0.266 120.388 120.200 -0.129 0.000 2.317 368 E HA 0.162 4.512 4.350 -0.000 0.000 0.270 368 E C -1.389 175.204 176.600 -0.011 0.000 0.899 368 E CA -0.360 55.976 56.400 -0.106 0.000 0.814 368 E CB 2.552 32.240 29.700 -0.019 0.000 1.296 368 E HN 0.636 nan 8.360 nan 0.000 0.404 369 E N 3.413 123.545 120.200 -0.113 0.000 2.151 369 E HA 0.362 4.712 4.350 -0.000 0.000 0.275 369 E C -1.165 175.337 176.600 -0.163 0.000 0.936 369 E CA -0.371 56.004 56.400 -0.042 0.000 0.777 369 E CB 0.939 30.619 29.700 -0.032 0.000 1.108 369 E HN 0.340 nan 8.360 nan 0.000 0.401 370 Y N 1.931 122.235 120.300 0.006 0.000 2.631 370 Y HA 0.401 4.951 4.550 -0.000 0.000 0.328 370 Y C -0.425 175.416 175.900 -0.097 0.000 1.118 370 Y CA -0.566 57.489 58.100 -0.075 0.000 1.206 370 Y CB 1.979 40.382 38.460 -0.095 0.000 1.337 370 Y HN 0.570 nan 8.280 nan 0.000 0.515 371 D N 0.575 121.005 120.400 0.049 0.000 2.369 371 D HA 0.295 4.935 4.640 -0.000 0.000 0.212 371 D C -1.918 174.304 176.300 -0.130 0.000 1.326 371 D CA -0.212 53.766 54.000 -0.036 0.000 0.933 371 D CB 0.539 41.324 40.800 -0.026 0.000 1.516 371 D HN 0.394 nan 8.370 nan 0.000 0.557 372 L N 2.576 123.700 121.223 -0.166 0.000 2.399 372 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 372 L C 0.115 176.822 176.870 -0.271 0.000 1.114 372 L CA -0.682 53.999 54.840 -0.265 0.000 0.804 372 L CB 1.327 43.291 42.059 -0.159 0.000 1.146 372 L HN 0.416 nan 8.230 nan 0.000 0.451 373 Q N 2.313 121.743 119.800 -0.616 0.000 2.284 373 Q HA 0.534 4.873 4.340 -0.000 0.000 0.269 373 Q C -1.496 174.013 176.000 -0.818 0.000 1.026 373 Q CA -0.402 55.101 55.803 -0.500 0.000 0.831 373 Q CB 2.900 31.373 28.738 -0.441 0.000 1.322 373 Q HN 0.336 nan 8.270 nan 0.000 0.419 374 F N 1.134 120.679 119.950 -0.676 0.000 2.654 374 F HA 0.647 5.174 4.527 -0.000 0.000 0.334 374 F C -0.008 175.264 175.800 -0.880 0.000 1.078 374 F CA -1.002 56.518 58.000 -0.800 0.000 0.986 374 F CB 1.539 39.998 39.000 -0.902 0.000 1.362 374 F HN 0.275 nan 8.300 nan 0.000 0.498 375 I N 1.958 122.081 120.570 -0.745 0.000 2.586 375 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 375 I C -1.577 174.217 176.117 -0.539 0.000 1.147 375 I CA -0.424 60.550 61.300 -0.542 0.000 1.047 375 I CB 1.736 39.396 38.000 -0.567 0.000 1.244 375 I HN 0.358 nan 8.210 nan 0.000 0.429 376 F N 3.785 123.727 119.950 -0.013 0.000 2.508 376 F HA 0.485 5.012 4.527 -0.000 0.000 0.325 376 F C 0.451 176.517 175.800 0.444 0.000 1.090 376 F CA -0.725 57.405 58.000 0.217 0.000 0.945 376 F CB 1.586 40.765 39.000 0.298 0.000 1.156 376 F HN 0.385 nan 8.300 nan 0.000 0.463 377 Q N 3.722 123.818 119.800 0.494 0.000 2.348 377 Q HA 0.442 4.782 4.340 -0.000 0.000 0.265 377 Q C -1.173 174.776 176.000 -0.086 0.000 0.998 377 Q CA -1.125 54.742 55.803 0.107 0.000 0.831 377 Q CB 1.703 30.456 28.738 0.026 0.000 1.251 377 Q HN 0.763 nan 8.270 nan 0.000 0.456 378 L N 3.763 124.814 121.223 -0.286 0.000 2.514 378 L HA 0.126 4.466 4.340 -0.000 0.000 0.280 378 L C -1.175 175.417 176.870 -0.464 0.000 1.223 378 L CA 0.773 55.252 54.840 -0.601 0.000 0.864 378 L CB 0.539 42.172 42.059 -0.710 0.000 1.118 378 L HN 0.921 nan 8.230 nan 0.000 0.494 379 C N 3.687 122.727 119.300 -0.432 0.000 3.236 379 C HA 0.754 5.214 4.460 -0.000 0.000 0.312 379 C C -0.617 174.251 174.990 -0.203 0.000 1.374 379 C CA -1.069 57.793 59.018 -0.259 0.000 1.455 379 C CB 2.397 30.036 27.740 -0.168 0.000 1.834 379 C HN 0.924 nan 8.230 nan 0.000 0.460 380 K N 0.745 121.093 120.400 -0.085 0.000 2.477 380 K HA 0.866 5.186 4.320 -0.000 0.000 0.255 380 K C -1.766 174.873 176.600 0.064 0.000 0.952 380 K CA -0.541 55.741 56.287 -0.008 0.000 0.826 380 K CB 1.709 34.237 32.500 0.045 0.000 1.331 380 K HN 0.617 nan 8.250 nan 0.000 0.437 381 I N 2.255 122.869 120.570 0.073 0.000 2.517 381 I HA 0.091 4.261 4.170 -0.000 0.000 0.280 381 I C -0.218 175.929 176.117 0.050 0.000 1.061 381 I CA -0.790 60.583 61.300 0.122 0.000 1.091 381 I CB 2.069 40.218 38.000 0.248 0.000 1.205 381 I HN 0.837 nan 8.210 nan 0.000 0.459 382 T N 4.128 118.721 114.554 0.064 0.000 2.888 382 T HA 0.366 4.716 4.350 -0.000 0.000 0.301 382 T C -0.232 174.484 174.700 0.028 0.000 1.001 382 T CA -0.376 61.740 62.100 0.026 0.000 1.147 382 T CB 0.695 69.581 68.868 0.030 0.000 0.931 382 T HN 0.271 nan 8.240 nan 0.000 0.541 383 L N 5.221 126.435 121.223 -0.015 0.000 2.328 383 L HA 0.311 4.650 4.340 -0.000 0.000 0.280 383 L C 1.450 178.329 176.870 0.014 0.000 1.111 383 L CA -0.121 54.719 54.840 0.000 0.000 0.909 383 L CB 0.027 42.064 42.059 -0.036 0.000 1.277 383 L HN 1.086 nan 8.230 nan 0.000 0.433 384 T N -0.743 113.830 114.554 0.032 0.000 3.057 384 T HA 0.618 4.968 4.350 -0.000 0.000 0.312 384 T C 1.257 175.971 174.700 0.024 0.000 1.227 384 T CA 0.131 62.246 62.100 0.024 0.000 0.929 384 T CB 0.647 69.533 68.868 0.029 0.000 1.986 384 T HN 0.304 nan 8.240 nan 0.000 0.579 385 A N 0.754 123.586 122.820 0.019 0.000 1.844 385 A HA 0.135 4.455 4.320 -0.000 0.000 0.212 385 A C 1.960 179.558 177.584 0.023 0.000 1.221 385 A CA 1.208 53.255 52.037 0.016 0.000 0.607 385 A CB -1.210 17.796 19.000 0.010 0.000 0.878 385 A HN 0.789 nan 8.150 nan 0.000 0.451 386 D N -0.317 120.095 120.400 0.019 0.000 2.309 386 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 386 D C 1.751 178.058 176.300 0.012 0.000 0.968 386 D CA 0.777 54.787 54.000 0.016 0.000 0.882 386 D CB -0.141 40.661 40.800 0.003 0.000 0.918 386 D HN 0.175 nan 8.370 nan 0.000 0.503 387 V N 0.400 120.327 119.914 0.022 0.000 2.273 387 V HA -0.144 3.976 4.120 -0.000 0.000 0.242 387 V C 2.283 178.415 176.094 0.064 0.000 1.035 387 V CA 1.221 63.534 62.300 0.022 0.000 1.013 387 V CB -0.303 31.567 31.823 0.078 0.000 0.652 387 V HN 0.172 nan 8.190 nan 0.000 0.452 388 M N 0.399 120.043 119.600 0.073 0.000 2.202 388 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 388 M C 2.220 178.582 176.300 0.104 0.000 1.063 388 M CA 2.422 57.781 55.300 0.098 0.000 1.097 388 M CB -0.308 32.333 32.600 0.068 0.000 1.382 388 M HN 0.660 nan 8.290 nan 0.000 0.413 389 T N -1.973 112.627 114.554 0.076 0.000 2.770 389 T HA -0.196 4.153 4.350 -0.000 0.000 0.263 389 T C 1.623 176.405 174.700 0.137 0.000 1.039 389 T CA 1.276 63.422 62.100 0.076 0.000 1.142 389 T CB -1.008 67.883 68.868 0.039 0.000 0.868 389 T HN 0.503 nan 8.240 nan 0.000 0.435 390 Y N 2.630 122.914 120.300 -0.026 0.000 2.034 390 Y HA -0.058 4.492 4.550 -0.000 0.000 0.269 390 Y C 2.285 178.121 175.900 -0.107 0.000 1.125 390 Y CA 1.356 59.414 58.100 -0.070 0.000 1.097 390 Y CB -0.710 37.627 38.460 -0.205 0.000 0.978 390 Y HN 0.163 nan 8.280 nan 0.000 0.480 391 I N -0.167 120.393 120.570 -0.017 0.000 2.462 391 I HA -0.431 3.739 4.170 -0.000 0.000 0.259 391 I C 2.442 178.461 176.117 -0.163 0.000 1.156 391 I CA 1.822 63.024 61.300 -0.162 0.000 1.417 391 I CB -0.702 37.308 38.000 0.017 0.000 1.088 391 I HN 0.489 nan 8.210 nan 0.000 0.442 392 H N 0.715 119.714 119.070 -0.117 0.000 2.355 392 H HA 0.002 4.558 4.556 -0.000 0.000 0.303 392 H C 2.312 177.553 175.328 -0.145 0.000 1.061 392 H CA 1.424 57.406 56.048 -0.109 0.000 1.368 392 H CB 0.359 30.096 29.762 -0.042 0.000 1.412 392 H HN 0.179 nan 8.280 nan 0.000 0.523 393 S N 0.636 116.361 115.700 0.041 0.000 2.474 393 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 393 S C 2.082 176.561 174.600 -0.201 0.000 0.997 393 S CA 0.935 59.127 58.200 -0.013 0.000 0.949 393 S CB 0.012 63.248 63.200 0.060 0.000 0.766 393 S HN 0.454 nan 8.310 nan 0.000 0.517 394 M N 1.102 120.459 119.600 -0.404 0.000 2.184 394 M HA 0.120 4.600 4.480 -0.000 0.000 0.244 394 M C 0.275 176.167 176.300 -0.679 0.000 1.141 394 M CA 1.281 56.112 55.300 -0.781 0.000 1.161 394 M CB 0.156 32.182 32.600 -0.956 0.000 1.237 394 M HN 0.084 nan 8.290 nan 0.000 0.444 395 N N 0.447 118.777 118.700 -0.616 0.000 2.576 395 N HA 0.146 4.886 4.740 -0.000 0.000 0.269 395 N C 0.550 175.792 175.510 -0.447 0.000 1.058 395 N CA -0.001 52.748 53.050 -0.502 0.000 0.860 395 N CB 1.107 39.276 38.487 -0.530 0.000 1.249 395 N HN 0.419 nan 8.380 nan 0.000 0.525 396 S N 1.564 117.011 115.700 -0.421 0.000 2.368 396 S HA -0.295 4.175 4.470 -0.000 0.000 0.226 396 S C 2.137 176.563 174.600 -0.289 0.000 1.044 396 S CA 2.273 60.206 58.200 -0.445 0.000 1.062 396 S CB -1.145 61.778 63.200 -0.462 0.000 0.931 396 S HN 0.749 nan 8.310 nan 0.000 0.440 397 T N 1.893 116.299 114.554 -0.246 0.000 2.680 397 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 397 T C 1.790 176.341 174.700 -0.249 0.000 1.033 397 T CA 1.613 63.597 62.100 -0.193 0.000 1.152 397 T CB -1.051 67.722 68.868 -0.159 0.000 0.859 397 T HN 0.358 nan 8.240 nan 0.000 0.452 398 I N 2.348 122.684 120.570 -0.390 0.000 2.065 398 I HA -0.204 3.966 4.170 -0.000 0.000 0.236 398 I C 2.700 178.435 176.117 -0.636 0.000 1.028 398 I CA 1.679 62.571 61.300 -0.680 0.000 1.299 398 I CB -1.585 35.918 38.000 -0.828 0.000 1.015 398 I HN 0.363 nan 8.210 nan 0.000 0.396 399 L N 0.152 121.267 121.223 -0.181 0.000 1.976 399 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 399 L C 2.478 179.468 176.870 0.200 0.000 1.071 399 L CA 1.450 56.465 54.840 0.292 0.000 0.746 399 L CB -1.088 41.126 42.059 0.259 0.000 0.890 399 L HN 0.248 nan 8.230 nan 0.000 0.432 400 E N 0.807 121.047 120.200 0.066 0.000 2.054 400 E HA -0.312 4.038 4.350 -0.000 0.000 0.225 400 E C 1.854 178.502 176.600 0.080 0.000 1.048 400 E CA 1.988 58.424 56.400 0.061 0.000 0.899 400 E CB -0.566 29.137 29.700 0.005 0.000 0.801 400 E HN 0.517 nan 8.360 nan 0.000 0.495 401 D N 0.160 120.569 120.400 0.015 0.000 2.157 401 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 401 D C 0.465 176.851 176.300 0.144 0.000 1.004 401 D CA 0.760 54.778 54.000 0.030 0.000 0.854 401 D CB -0.487 40.279 40.800 -0.056 0.000 0.936 401 D HN 0.191 nan 8.370 nan 0.000 0.446 402 W N 2.481 123.818 121.300 0.061 0.000 2.493 402 W HA 0.007 4.667 4.660 -0.000 0.000 0.337 402 W C 1.145 177.703 176.519 0.064 0.000 1.234 402 W CA 0.163 57.553 57.345 0.075 0.000 1.286 402 W CB -0.857 28.653 29.460 0.083 0.000 1.188 402 W HN 0.025 nan 8.180 nan 0.000 0.564 439 D N 4.216 124.637 120.400 0.034 0.000 2.338 439 D HA 0.142 4.782 4.640 -0.000 0.000 0.255 439 D C -1.354 175.000 176.300 0.090 0.000 1.237 439 D CA -1.837 52.202 54.000 0.065 0.000 0.883 439 D CB 1.213 42.062 40.800 0.082 0.000 1.087 439 D HN 0.109 nan 8.370 nan 0.000 0.485 440 P HA -0.077 nan 4.420 nan 0.000 0.230 440 P C 0.531 177.986 177.300 0.258 0.000 1.158 440 P CA 0.641 63.822 63.100 0.135 0.000 0.769 440 P CB 0.227 31.989 31.700 0.104 0.000 0.807 441 L N -0.669 120.736 121.223 0.304 0.000 3.073 441 L HA 0.324 4.664 4.340 -0.000 0.000 0.242 441 L C 1.901 178.979 176.870 0.346 0.000 1.317 441 L CA -0.220 54.936 54.840 0.526 0.000 1.081 441 L CB 0.009 42.425 42.059 0.595 0.000 1.456 441 L HN -0.176 nan 8.230 nan 0.000 0.525 442 K N 1.358 121.853 120.400 0.158 0.000 2.202 442 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 442 K C 1.612 178.174 176.600 -0.064 0.000 1.051 442 K CA 0.705 57.026 56.287 0.057 0.000 0.977 442 K CB 0.407 32.920 32.500 0.022 0.000 0.792 442 K HN 0.047 nan 8.250 nan 0.000 0.469 443 K N 0.695 120.963 120.400 -0.221 0.000 2.630 443 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 443 K C -0.687 175.450 176.600 -0.771 0.000 1.024 443 K CA 0.198 56.202 56.287 -0.473 0.000 1.157 443 K CB -0.501 31.676 32.500 -0.538 0.000 0.899 443 K HN 0.177 nan 8.250 nan 0.000 0.501 444 Y N -0.464 119.740 120.300 -0.159 0.000 2.581 444 Y HA 0.314 4.864 4.550 -0.000 0.000 0.345 444 Y C -0.061 175.452 175.900 -0.646 0.000 1.036 444 Y CA -1.130 56.719 58.100 -0.418 0.000 1.042 444 Y CB 2.419 40.602 38.460 -0.462 0.000 1.289 444 Y HN -0.174 nan 8.280 nan 0.000 0.471 445 T N 2.604 116.708 114.554 -0.751 0.000 2.890 445 T HA 0.609 4.959 4.350 -0.000 0.000 0.295 445 T C -1.228 173.006 174.700 -0.778 0.000 0.993 445 T CA -0.700 61.039 62.100 -0.601 0.000 0.979 445 T CB 0.171 68.863 68.868 -0.294 0.000 0.967 445 T HN 0.307 nan 8.240 nan 0.000 0.441 446 F N 0.205 120.196 119.950 0.069 0.000 2.579 446 F HA 0.546 5.073 4.527 -0.000 0.000 0.324 446 F C -0.045 175.822 175.800 0.112 0.000 1.058 446 F CA -1.613 56.421 58.000 0.056 0.000 0.944 446 F CB 0.964 40.000 39.000 0.060 0.000 1.245 446 F HN 0.489 nan 8.300 nan 0.000 0.477 447 W N 4.230 125.541 121.300 0.018 0.000 2.712 447 W HA 0.065 4.725 4.660 -0.000 0.000 0.345 447 W C -0.360 176.201 176.519 0.070 0.000 1.424 447 W CA -0.236 57.064 57.345 -0.074 0.000 1.375 447 W CB -0.203 29.016 29.460 -0.402 0.000 1.483 447 W HN 0.491 nan 8.180 nan 0.000 0.561 448 E N 4.412 124.912 120.200 0.499 0.000 2.289 448 E HA 0.247 4.597 4.350 -0.000 0.000 0.278 448 E C -0.598 176.289 176.600 0.478 0.000 1.032 448 E CA -0.318 56.354 56.400 0.454 0.000 0.854 448 E CB 1.922 31.848 29.700 0.377 0.000 1.046 448 E HN 0.156 nan 8.360 nan 0.000 0.409 449 V N 3.451 123.572 119.914 0.345 0.000 2.577 449 V HA 0.292 4.412 4.120 -0.000 0.000 0.303 449 V C -0.047 176.183 176.094 0.228 0.000 1.042 449 V CA -1.024 61.417 62.300 0.235 0.000 0.872 449 V CB 1.938 33.816 31.823 0.092 0.000 0.998 449 V HN 0.529 nan 8.190 nan 0.000 0.423 450 N N 4.188 123.003 118.700 0.193 0.000 2.483 450 N HA 0.471 5.211 4.740 -0.000 0.000 0.267 450 N C -0.240 175.316 175.510 0.077 0.000 0.998 450 N CA -0.381 52.761 53.050 0.154 0.000 0.918 450 N CB 2.019 40.575 38.487 0.116 0.000 1.215 450 N HN 0.702 nan 8.380 nan 0.000 0.500 451 L N 3.197 124.439 121.223 0.032 0.000 2.664 451 L HA 0.210 4.550 4.340 -0.000 0.000 0.233 451 L C 1.975 178.874 176.870 0.048 0.000 1.113 451 L CA -0.034 54.826 54.840 0.035 0.000 0.896 451 L CB 0.233 42.282 42.059 -0.016 0.000 1.163 451 L HN 0.424 nan 8.230 nan 0.000 0.497 452 K N 0.785 121.142 120.400 -0.072 0.000 2.107 452 K HA -0.242 4.078 4.320 -0.000 0.000 0.211 452 K C 0.791 177.347 176.600 -0.073 0.000 1.049 452 K CA 1.644 57.821 56.287 -0.185 0.000 0.927 452 K CB -0.028 32.397 32.500 -0.124 0.000 0.714 452 K HN 0.154 nan 8.250 nan 0.000 0.452 453 E N -0.209 120.011 120.200 0.034 0.000 2.423 453 E HA 0.053 4.403 4.350 -0.000 0.000 0.198 453 E C 0.386 177.072 176.600 0.143 0.000 1.038 453 E CA 0.078 56.531 56.400 0.089 0.000 1.011 453 E CB 0.637 30.379 29.700 0.070 0.000 1.118 453 E HN 0.091 nan 8.360 nan 0.000 0.451 454 K N -0.571 119.940 120.400 0.184 0.000 2.412 454 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 454 K C -0.086 176.662 176.600 0.247 0.000 1.102 454 K CA -0.191 56.208 56.287 0.188 0.000 1.027 454 K CB 0.431 33.002 32.500 0.119 0.000 0.931 454 K HN 0.065 nan 8.250 nan 0.000 0.557 455 F N 2.422 122.356 119.950 -0.027 0.000 2.602 455 F HA -0.029 4.498 4.527 -0.000 0.000 0.385 455 F C 0.948 176.934 175.800 0.310 0.000 1.063 455 F CA 0.519 58.513 58.000 -0.012 0.000 1.233 455 F CB 0.454 39.177 39.000 -0.462 0.000 1.067 455 F HN -0.233 nan 8.300 nan 0.000 0.564 456 S N 3.277 119.310 115.700 0.555 0.000 2.659 456 S HA 0.621 5.091 4.470 -0.000 0.000 0.312 456 S C 0.647 175.548 174.600 0.500 0.000 1.114 456 S CA -0.265 58.313 58.200 0.630 0.000 1.063 456 S CB 1.108 64.669 63.200 0.602 0.000 0.996 456 S HN 0.801 nan 8.310 nan 0.000 0.478 457 A N 3.644 126.670 122.820 0.342 0.000 1.873 457 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 457 A C 0.680 178.230 177.584 -0.057 0.000 1.193 457 A CA 1.862 53.694 52.037 -0.342 0.000 0.629 457 A CB -0.930 17.955 19.000 -0.191 0.000 0.826 457 A HN 0.898 nan 8.150 nan 0.000 0.447 458 D N 0.023 120.465 120.400 0.070 0.000 2.344 458 D HA 0.327 4.967 4.640 -0.000 0.000 0.253 458 D C 0.284 176.626 176.300 0.069 0.000 1.255 458 D CA -0.250 53.779 54.000 0.049 0.000 0.894 458 D CB 0.330 41.134 40.800 0.007 0.000 1.067 458 D HN 0.336 nan 8.370 nan 0.000 0.492 459 L N 1.002 122.298 121.223 0.120 0.000 2.591 459 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 459 L C 0.556 177.465 176.870 0.065 0.000 1.133 459 L CA 0.129 55.089 54.840 0.199 0.000 0.880 459 L CB -0.221 41.990 42.059 0.253 0.000 1.033 459 L HN 0.189 nan 8.230 nan 0.000 0.450 460 D N -0.268 120.124 120.400 -0.013 0.000 2.363 460 D HA -0.091 4.549 4.640 -0.000 0.000 0.226 460 D C 1.444 177.677 176.300 -0.112 0.000 1.020 460 D CA 0.581 54.557 54.000 -0.040 0.000 0.892 460 D CB 0.181 40.958 40.800 -0.039 0.000 0.900 460 D HN 0.263 nan 8.370 nan 0.000 0.531 461 Q N -0.364 119.284 119.800 -0.253 0.000 2.172 461 Q HA 0.253 4.593 4.340 -0.000 0.000 0.217 461 Q C -0.543 175.068 176.000 -0.649 0.000 0.832 461 Q CA 0.020 55.538 55.803 -0.475 0.000 1.010 461 Q CB 0.741 29.131 28.738 -0.579 0.000 1.133 461 Q HN 0.291 nan 8.270 nan 0.000 0.489 462 F N 0.375 120.243 119.950 -0.137 0.000 2.626 462 F HA 0.316 4.843 4.527 -0.000 0.000 0.311 462 F C -1.724 174.044 175.800 -0.053 0.000 1.088 462 F CA -1.994 55.893 58.000 -0.189 0.000 0.949 462 F CB 2.148 40.800 39.000 -0.582 0.000 1.322 462 F HN -0.278 nan 8.300 nan 0.000 0.461 463 P HA -0.055 nan 4.420 nan 0.000 0.221 463 P C 1.654 179.041 177.300 0.144 0.000 1.155 463 P CA 1.085 64.258 63.100 0.121 0.000 0.812 463 P CB 0.933 32.681 31.700 0.080 0.000 0.801 464 L N -0.246 121.089 121.223 0.188 0.000 2.027 464 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 464 L C 2.494 179.543 176.870 0.299 0.000 1.074 464 L CA 2.189 57.126 54.840 0.161 0.000 0.745 464 L CB -1.219 40.872 42.059 0.053 0.000 0.898 464 L HN 0.008 nan 8.230 nan 0.000 0.433 465 G N -0.642 108.379 108.800 0.369 0.000 2.505 465 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.214 465 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.214 465 G C 1.420 176.464 174.900 0.241 0.000 1.237 465 G CA 0.708 46.021 45.100 0.355 0.000 0.802 465 G HN 0.312 nan 8.290 nan 0.000 0.549 466 R N 0.572 121.166 120.500 0.156 0.000 2.323 466 R HA -0.303 4.037 4.340 -0.000 0.000 0.259 466 R C 2.548 178.888 176.300 0.066 0.000 1.104 466 R CA 2.312 58.459 56.100 0.079 0.000 0.961 466 R CB -0.463 29.872 30.300 0.058 0.000 0.929 466 R HN 0.397 nan 8.270 nan 0.000 0.457 467 K N -0.506 119.975 120.400 0.135 0.000 1.980 467 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 467 K C 1.980 178.660 176.600 0.132 0.000 1.043 467 K CA 1.427 57.818 56.287 0.174 0.000 0.938 467 K CB -0.501 32.172 32.500 0.290 0.000 0.724 467 K HN 0.043 nan 8.250 nan 0.000 0.438 468 F N 2.539 122.559 119.950 0.116 0.000 2.045 468 F HA -0.312 4.215 4.527 -0.000 0.000 0.297 468 F C 2.025 177.598 175.800 -0.378 0.000 1.114 468 F CA 1.357 59.191 58.000 -0.276 0.000 1.207 468 F CB -0.806 38.120 39.000 -0.123 0.000 0.964 468 F HN -0.084 nan 8.300 nan 0.000 0.486 469 L N 0.443 121.373 121.223 -0.489 0.000 2.054 469 L HA -0.276 4.064 4.340 -0.000 0.000 0.220 469 L C 2.224 178.841 176.870 -0.421 0.000 1.081 469 L CA 1.969 56.522 54.840 -0.478 0.000 0.780 469 L CB -0.956 41.008 42.059 -0.157 0.000 0.893 469 L HN 0.387 nan 8.230 nan 0.000 0.438 470 L N -1.168 119.892 121.223 -0.273 0.000 2.693 470 L HA -0.048 4.292 4.340 -0.000 0.000 0.242 470 L C 1.556 178.252 176.870 -0.291 0.000 1.157 470 L CA 0.067 54.772 54.840 -0.225 0.000 0.929 470 L CB -0.170 41.820 42.059 -0.116 0.000 1.103 470 L HN 0.489 nan 8.230 nan 0.000 0.430 471 Q N -0.507 118.990 119.800 -0.504 0.000 2.175 471 Q HA 0.259 4.599 4.340 -0.000 0.000 0.177 471 Q C 0.494 176.131 176.000 -0.605 0.000 0.636 471 Q CA -0.273 55.199 55.803 -0.553 0.000 0.657 471 Q CB 0.388 28.668 28.738 -0.762 0.000 1.760 471 Q HN 0.148 nan 8.270 nan 0.000 0.417 472 L N 0.000 120.741 121.223 -0.803 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.495 54.840 -0.575 0.000 0.813 472 L CB 0.000 41.719 42.059 -0.566 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502